2-benzyl-N-(2-methoxyphenyl)aniline

C20H19NO — CID 59889451

IUPAC2-benzyl-N-(2-methoxyphenyl)aniline
SMILESCOc1ccccc1Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C20H19NO/c1-22-20-14-8-7-13-19(20)21-18-12-6-5-11-17(18)15-16-9-3-2-4-10-16/h2-14,21H,15H2,1H3
InChIKeyPDFUIJLQLYUBED-UHFFFAOYSA-N
MW289.38 g/mol
LogP5.03
Rot. Bonds5

About 2-benzyl-N-(2-methoxyphenyl)aniline

2-benzyl-N-(2-methoxyphenyl)aniline (PubChem CID 59889451) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-benzyl-N-(2-methoxyphenyl)aniline.

Molecular Properties

Compound Name2-benzyl-N-(2-methoxyphenyl)aniline
PubChem CID59889451
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name2-benzyl-N-(2-methoxyphenyl)aniline
SMILESCOc1ccccc1Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C20H19NO/c1-22-20-14-8-7-13-19(20)21-18-12-6-5-11-17(18)15-16-9-3-2-4-10-16/h2-14,21H,15H2,1H3
InChIKeyPDFUIJLQLYUBED-UHFFFAOYSA-N
XLogP5.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.38
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-benzyl-N-(2-methoxyphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-phenylaniline
CID 10910514
2-benzyl-N-(2-methoxyphenyl)benzamide
CID 26914966
N-(2-benzylphenyl)-3-(2-methoxyphenyl)propanamide
CID 8023813
1,5-dibenzyl-2,4-dimethoxybenzene
CID 134865682
2-[(4-methylphenyl)methyl]-N-phenylaniline
CID 11708854
1-methoxy-2-[(4-phenylphenyl)methyl]benzene
CID 174370208
4-benzyl-1-[(2-methoxyphenyl)methyl]pyridin-1-ium
CID 8860166
N-(2-benzylphenyl)thiohydroxylamine
CID 88608695
N-(2-benzylphenyl)hydroxylamine
CID 3014197
benzylbenzene;methoxymethane
CID 161110966
1-benzyl-3-[4-(2-methoxyanilino)phenyl]thiourea
CID 2487896
2-benzyl-N-propan-2-ylaniline
CID 13262632

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(2-methoxyphenyl)aniline?
The IUPAC name of 2-benzyl-N-(2-methoxyphenyl)aniline (CID 59889451) is 2-benzyl-N-(2-methoxyphenyl)aniline.
What is the SMILES notation for 2-benzyl-N-(2-methoxyphenyl)aniline?
The canonical SMILES for 2-benzyl-N-(2-methoxyphenyl)aniline is COc1ccccc1Nc1ccccc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-(2-methoxyphenyl)aniline?
The InChIKey is PDFUIJLQLYUBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-22-20-14-8-7-13-19(20)21-18-12-6-5-11-17(18)15-16-9-3-2-4-10-16/h2-14,21H,15H2,1H3.
What are the key properties of 2-benzyl-N-(2-methoxyphenyl)aniline?
2-benzyl-N-(2-methoxyphenyl)aniline has a molecular weight of 289.38 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(2-methoxyphenyl)aniline is sourced from PubChem (CID 59889451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).