3-N-(4-methoxyphenyl)benzene-1,3-diamine

C13H14N2O — CID 22486418

IUPAC3-N-(4-methoxyphenyl)benzene-1,3-diamine
SMILESCOc1ccc(Nc2cccc(N)c2)cc1
InChIInChI=1S/C13H14N2O/c1-16-13-7-5-11(6-8-13)15-12-4-2-3-10(14)9-12/h2-9,15H,14H2,1H3
InChIKeyBRZXJWAHJSCNOG-UHFFFAOYSA-N
MW214.27 g/mol
LogP3.02
Rot. Bonds3

About 3-N-(4-methoxyphenyl)benzene-1,3-diamine

3-N-(4-methoxyphenyl)benzene-1,3-diamine (PubChem CID 22486418) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-N-(4-methoxyphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(4-methoxyphenyl)benzene-1,3-diamine
PubChem CID22486418
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-N-(4-methoxyphenyl)benzene-1,3-diamine
SMILESCOc1ccc(Nc2cccc(N)c2)cc1
InChIInChI=1S/C13H14N2O/c1-16-13-7-5-11(6-8-13)15-12-4-2-3-10(14)9-12/h2-9,15H,14H2,1H3
InChIKeyBRZXJWAHJSCNOG-UHFFFAOYSA-N
XLogP3.02
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-N-(4-methoxyphenyl)benzene-1,3-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-N-(3,5-dimethoxyphenyl)benzene-1,3-diamine
CID 43132798
3-N-(4-methoxyphenyl)-1-N-methylbenzene-1,3-diamine
CID 117027159
3-N-[4-(methylamino)phenyl]benzene-1,3-diamine
CID 122513645
3-(4-methoxyanilino)phenol
CID 15574559
3-N-[4-(trifluoromethoxy)phenyl]benzene-1,3-diamine
CID 43245746
5-methoxy-3-N-(3-methoxyphenyl)benzene-1,3-diamine
CID 80722123
4-N-(4-methoxyphenyl)-2-methylbenzene-1,4-diamine
CID 43436240
1-N-(4-methoxyphenyl)-4-methylbenzene-1,3-diamine
CID 55130746
(4-methoxyphenyl) N-(3-aminophenyl)carbamate
CID 12941472
N-(4-bromophenyl)-3-methoxyaniline
CID 54467433
6-N-(2-aminoethyl)-2-N-(3-aminophenyl)-4-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 11567086
2-[3-(4-methoxyanilino)phenyl]acetic acid
CID 155289963

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-methoxyphenyl)benzene-1,3-diamine?
The IUPAC name of 3-N-(4-methoxyphenyl)benzene-1,3-diamine (CID 22486418) is 3-N-(4-methoxyphenyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-(4-methoxyphenyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-(4-methoxyphenyl)benzene-1,3-diamine is COc1ccc(Nc2cccc(N)c2)cc1.
What is the InChIKey of 3-N-(4-methoxyphenyl)benzene-1,3-diamine?
The InChIKey is BRZXJWAHJSCNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-16-13-7-5-11(6-8-13)15-12-4-2-3-10(14)9-12/h2-9,15H,14H2,1H3.
What are the key properties of 3-N-(4-methoxyphenyl)benzene-1,3-diamine?
3-N-(4-methoxyphenyl)benzene-1,3-diamine has a molecular weight of 214.27 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-methoxyphenyl)benzene-1,3-diamine is sourced from PubChem (CID 22486418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).