2-(aminomethyl)-N-phenyl-4-phenylsulfanylaniline

C19H18N2S — CID 22136212

IUPAC2-(aminomethyl)-N-phenyl-4-phenylsulfanylaniline
SMILESNCc1cc(Sc2ccccc2)ccc1Nc1ccccc1
InChIInChI=1S/C19H18N2S/c20-14-15-13-18(22-17-9-5-2-6-10-17)11-12-19(15)21-16-7-3-1-4-8-16/h1-13,21H,14,20H2
InChIKeyWXXGBCOYXHSOOM-UHFFFAOYSA-N
MW306.43 g/mol
LogP5.04
Rot. Bonds5

About 2-(aminomethyl)-N-phenyl-4-phenylsulfanylaniline

2-(aminomethyl)-N-phenyl-4-phenylsulfanylaniline (PubChem CID 22136212) has the molecular formula C19H18N2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-(aminomethyl)-N-phenyl-4-phenylsulfanylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-phenyl-4-phenylsulfanylaniline
PubChem CID22136212
Molecular FormulaC19H18N2S
Molecular Weight306.43 g/mol
Exact Mass306.12
IUPAC Name2-(aminomethyl)-N-phenyl-4-phenylsulfanylaniline
SMILESNCc1cc(Sc2ccccc2)ccc1Nc1ccccc1
InChIInChI=1S/C19H18N2S/c20-14-15-13-18(22-17-9-5-2-6-10-17)11-12-19(15)21-16-7-3-1-4-8-16/h1-13,21H,14,20H2
InChIKeyWXXGBCOYXHSOOM-UHFFFAOYSA-N
XLogP5.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.43
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-phenyl-4-phenylsulfanylaniline?
The IUPAC name of 2-(aminomethyl)-N-phenyl-4-phenylsulfanylaniline (CID 22136212) is 2-(aminomethyl)-N-phenyl-4-phenylsulfanylaniline.
What is the SMILES notation for 2-(aminomethyl)-N-phenyl-4-phenylsulfanylaniline?
The canonical SMILES for 2-(aminomethyl)-N-phenyl-4-phenylsulfanylaniline is NCc1cc(Sc2ccccc2)ccc1Nc1ccccc1.
What is the InChIKey of 2-(aminomethyl)-N-phenyl-4-phenylsulfanylaniline?
The InChIKey is WXXGBCOYXHSOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2S/c20-14-15-13-18(22-17-9-5-2-6-10-17)11-12-19(15)21-16-7-3-1-4-8-16/h1-13,21H,14,20H2.
What are the key properties of 2-(aminomethyl)-N-phenyl-4-phenylsulfanylaniline?
2-(aminomethyl)-N-phenyl-4-phenylsulfanylaniline has a molecular weight of 306.43 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-phenyl-4-phenylsulfanylaniline is sourced from PubChem (CID 22136212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).