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Chem 1 4 Methoxyphenyl 2 Benzylaminopropane | Cheminformatics

1-(4-Methoxyphenyl)-2-benzylaminopropane


  • SKU Code: CH138516
Chemical Name - 1-(4-Methoxyphenyl)-2-benzylaminopropane
Mol Weight - 255.36
Smiles - CC(Cc(cc1)ccc1OC)NCc1ccccc1
Property Name Property Value
Mol Name1-(4-Methoxyphenyl)-2-benzylaminopropane
Molweight255.36
Monoisotopic Mass255.162314
Clogp3.1535
Clogs-3.323
H Acceptors2
H Donors1
Total Surface Area219.02
Relative Psa0.097982
Polar Surface Area21.26
Druglikeness4.5476
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.73684
Molecular Flexibility0.56876
Molecular Complexity0.58727
Fragments1
Non H Atoms19
Non Ch Atoms2
Electronegative Atoms2
Stereo Centers1
Rotatable Bonds6
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3 Atoms7
Symmetric Atoms4
Amines1
Alkyl Amines1
Basic Nitrogens1
SmilesCC(Cc(cc1)ccc1OC)NCc1ccccc1
InChIKeyInChI=1S/C17H21NO/c1-14(18-13-16-6-4-3-5-7-16)12-15-8-10-17(19-2)11-9-15/h3-11,14,18H,12-13H2,1-2H3
InChICVGPWMGXKOKNFD-UHFFFAOYSA-N

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