Chem 95 Ethyl Benzyl Aniline

Compound 15
  CheckMol                        TMF02:r0:m0
MF=C15H17N MW=211.31
 16 17  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   -1.4912   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3136    0.7574   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2900    0.7574   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3255   -2.2249   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2781   -2.2249   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6273    0.0237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5799    0.0237   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3373   -3.7161   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2663   -3.7161   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9409    0.7929   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6391   -1.4675   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0473   -4.4616   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2545    0.0592   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9527   -2.2012   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2664   -1.4320   -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
 11 14 01  0  1  0  0
 12 15 02  0  1  0  0
 14 16 02  0  1  0  0
 10 13 01  0  1  0  0
 15 16 01  0  1  0  0
M  END

Ethyl Benzyl Aniline

₹ 0.00 0.00

Chemical Name - Ethyl Benzyl Aniline
Mol Weight - 211.307
Smiles - CCN(Cc1ccccc1)c1ccccc1

Property Name	Property Value
Mol Name	Ethyl Benzyl Aniline
Molweight	211.307
Monoisotopic Mass	211.136099
Clogp	3.3804
Clogs	-3.275
H Acceptors	1
Total Surface Area	183.1
Relative Psa	0.019388
Polar Surface Area	3.24
Druglikeness	3.2472
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.625
Molecular Flexibility	0.50566
Molecular Complexity	0.53731
Fragments	1
Non H Atoms	16
Non Ch Atoms	1
Electronegative Atoms	1
Rotatable Bonds	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	3
Symmetric Atoms	4
Amines	1
Aromatic Amines	1
Smiles	CCN(Cc1ccccc1)c1ccccc1
InChIKey	InChI=1S/C15H17N/c1-2-16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3
InChI	HSZCJVZRHXPCIA-UHFFFAOYSA-N

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Ethyl Benzyl Aniline