Chem 95 N Ethyl N Benzyl Meta Toluidine

Compound 19
  CheckMol                        TMF02:r0:m0
MF=C16H19N MW=225.33
 17 18  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4924   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3147    0.7580   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2910    0.7580   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -2.2267   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3265   -2.2267   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6294    0.0237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5820    0.0237   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2673   -3.7190   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3384   -3.7190   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9441    0.7936   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6412   -1.4687   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0474   -4.4534   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5583   -4.4652   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2588    0.0592   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9559   -2.2030   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2706   -1.4331   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5 02  0  1  0  0
  2  6 01  0  1  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9 01  0  1  0  0
  6 10 02  0  1  0  0
  7 11 02  0  1  0  0
  7 12 01  0  1  0  0
  9 13 02  0  1  0  0
  9 14  1  0  0  0  0
 11 15 01  0  1  0  0
 12 16 02  0  1  0  0
 15 17 02  0  1  0  0
 10 13 01  0  1  0  0
 16 17 01  0  1  0  0
M  END

N-ethyl-n-benzyl-meta-toluidine

₹ 0.00 0.00

Chemical Name - N-ethyl-n-benzyl-meta-toluidine
Mol Weight - 225.334
Smiles - CCN(Cc1ccccc1)c1cc(C)ccc1

Property Name	Property Value
Mol Name	N-ethyl-n-benzyl-meta-toluidine
Molweight	225.334
Monoisotopic Mass	225.151749
Clogp	3.7243
Clogs	-3.619
H Acceptors	1
Total Surface Area	195.36
Relative Psa	0.018172
Polar Surface Area	3.24
Druglikeness	3.2472
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.58824
Molecular Flexibility	0.49975
Molecular Complexity	0.58491
Fragments	1
Non H Atoms	17
Non Ch Atoms	1
Electronegative Atoms	1
Rotatable Bonds	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	4
Symmetric Atoms	2
Amines	1
Aromatic Amines	1
Smiles	CCN(Cc1ccccc1)c1cc(C)ccc1
InChIKey	InChI=1S/C16H19N/c1-3-17(13-15-9-5-4-6-10-15)16-11-7-8-14(2)12-16/h4-12H,3,13H2,1-2H3
InChI	VIACAIAQHPLINF-UHFFFAOYSA-N

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N-ethyl-n-benzyl-meta-toluidine