3-chloro-2-N-(4-methoxy-3-methylphenyl)benzene-1,2-diamine

C14H15ClN2O — CID 54964711

IUPAC3-chloro-2-N-(4-methoxy-3-methylphenyl)benzene-1,2-diamine
SMILESCOc1ccc(Nc2c(N)cccc2Cl)cc1C
InChIInChI=1S/C14H15ClN2O/c1-9-8-10(6-7-13(9)18-2)17-14-11(15)4-3-5-12(14)16/h3-8,17H,16H2,1-2H3
InChIKeyOVUKJYKVFPHNAU-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.98
Rot. Bonds3

About 3-chloro-2-N-(4-methoxy-3-methylphenyl)benzene-1,2-diamine

3-chloro-2-N-(4-methoxy-3-methylphenyl)benzene-1,2-diamine (PubChem CID 54964711) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 3-chloro-2-N-(4-methoxy-3-methylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-2-N-(4-methoxy-3-methylphenyl)benzene-1,2-diamine
PubChem CID54964711
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name3-chloro-2-N-(4-methoxy-3-methylphenyl)benzene-1,2-diamine
SMILESCOc1ccc(Nc2c(N)cccc2Cl)cc1C
InChIInChI=1S/C14H15ClN2O/c1-9-8-10(6-7-13(9)18-2)17-14-11(15)4-3-5-12(14)16/h3-8,17H,16H2,1-2H3
InChIKeyOVUKJYKVFPHNAU-UHFFFAOYSA-N
XLogP3.98
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-2-N-(4-methoxy-3-methylphenyl)benzene-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

2-N-(3-chloro-4-methoxyphenyl)-3-methylbenzene-1,2-diamine
CID 113333668
3-chloro-2-N-(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
CID 29066564
3-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine
CID 43148696
2-N-(4-ethoxy-3-methylphenyl)-3-methylbenzene-1,2-diamine
CID 115125939
4-methoxy-3-methyl-N-phenylaniline
CID 23635969
6-N-(4-methoxy-3-methylphenyl)pyridine-2,3,6-triamine
CID 79828246
3-N-(4-methoxy-3-methylphenyl)-2-nitrobenzene-1,3-diamine
CID 80802218
3-chloro-2-N-(3-iodophenyl)benzene-1,2-diamine
CID 29067112
3-chloro-2-N-[3-(dimethylamino)phenyl]benzene-1,2-diamine
CID 113297464
3-chloro-2-N-(4-ethoxyphenyl)benzene-1,2-diamine
CID 29066424
2-N-(3-bromo-4-methoxyphenyl)-3-fluorobenzene-1,2-diamine
CID 115125595
2-(4-amino-3-methylanilino)-3-methoxybenzonitrile
CID 107466454

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-(4-methoxy-3-methylphenyl)benzene-1,2-diamine?
The IUPAC name of 3-chloro-2-N-(4-methoxy-3-methylphenyl)benzene-1,2-diamine (CID 54964711) is 3-chloro-2-N-(4-methoxy-3-methylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-2-N-(4-methoxy-3-methylphenyl)benzene-1,2-diamine?
The canonical SMILES for 3-chloro-2-N-(4-methoxy-3-methylphenyl)benzene-1,2-diamine is COc1ccc(Nc2c(N)cccc2Cl)cc1C.
What is the InChIKey of 3-chloro-2-N-(4-methoxy-3-methylphenyl)benzene-1,2-diamine?
The InChIKey is OVUKJYKVFPHNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-9-8-10(6-7-13(9)18-2)17-14-11(15)4-3-5-12(14)16/h3-8,17H,16H2,1-2H3.
What are the key properties of 3-chloro-2-N-(4-methoxy-3-methylphenyl)benzene-1,2-diamine?
3-chloro-2-N-(4-methoxy-3-methylphenyl)benzene-1,2-diamine has a molecular weight of 262.74 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-(4-methoxy-3-methylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 54964711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).