2-N-(3-methoxyphenyl)-3-phenylpropane-1,2-diamine

C16H20N2O — CID 65376487

IUPAC2-N-(3-methoxyphenyl)-3-phenylpropane-1,2-diamine
SMILESCOc1cccc(NC(CN)Cc2ccccc2)c1
InChIInChI=1S/C16H20N2O/c1-19-16-9-5-8-14(11-16)18-15(12-17)10-13-6-3-2-4-7-13/h2-9,11,15,18H,10,12,17H2,1H3
InChIKeyDJPVFRSDFBWXBM-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.68
Rot. Bonds6

About 2-N-(3-methoxyphenyl)-3-phenylpropane-1,2-diamine

2-N-(3-methoxyphenyl)-3-phenylpropane-1,2-diamine (PubChem CID 65376487) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-N-(3-methoxyphenyl)-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-methoxyphenyl)-3-phenylpropane-1,2-diamine
PubChem CID65376487
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-N-(3-methoxyphenyl)-3-phenylpropane-1,2-diamine
SMILESCOc1cccc(NC(CN)Cc2ccccc2)c1
InChIInChI=1S/C16H20N2O/c1-19-16-9-5-8-14(11-16)18-15(12-17)10-13-6-3-2-4-7-13/h2-9,11,15,18H,10,12,17H2,1H3
InChIKeyDJPVFRSDFBWXBM-UHFFFAOYSA-N
XLogP2.68
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-(3-methoxyphenyl)-3-phenylpropane-1,2-diamine 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

3-methoxy-N-[(2S)-4-phenylbutan-2-yl]aniline
CID 29291478
N-(1-phenylbutan-2-yl)-3-propoxyaniline
CID 79008834
[1-(4-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105198413
1-(2,6-difluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 65376485
1-(2-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 65379421
methyl 3-[(1-amino-3-phenylpropan-2-yl)amino]-5-methoxy-1-benzothiophene-2-carboxylate
CID 10156018
N-hexan-3-yl-3-methoxyaniline
CID 115916725
1-(2,3-dimethylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 65378155
N-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethane-1,2-diamine
CID 65379203
N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261
3-methoxy-N-[(2S,3S)-3-methylpentan-2-yl]aniline
CID 28548125
tert-butyl N-[1-amino-3-(3-methoxyphenyl)propan-2-yl]carbamate
CID 84730445

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methoxyphenyl)-3-phenylpropane-1,2-diamine?
The IUPAC name of 2-N-(3-methoxyphenyl)-3-phenylpropane-1,2-diamine (CID 65376487) is 2-N-(3-methoxyphenyl)-3-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(3-methoxyphenyl)-3-phenylpropane-1,2-diamine?
The canonical SMILES for 2-N-(3-methoxyphenyl)-3-phenylpropane-1,2-diamine is COc1cccc(NC(CN)Cc2ccccc2)c1.
What is the InChIKey of 2-N-(3-methoxyphenyl)-3-phenylpropane-1,2-diamine?
The InChIKey is DJPVFRSDFBWXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-19-16-9-5-8-14(11-16)18-15(12-17)10-13-6-3-2-4-7-13/h2-9,11,15,18H,10,12,17H2,1H3.
What are the key properties of 2-N-(3-methoxyphenyl)-3-phenylpropane-1,2-diamine?
2-N-(3-methoxyphenyl)-3-phenylpropane-1,2-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methoxyphenyl)-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 65376487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).