1-N-[2-(dimethylamino)phenyl]-3-methylbenzene-1,2-diamine

C15H19N3 — CID 114041371

IUPAC1-N-[2-(dimethylamino)phenyl]-3-methylbenzene-1,2-diamine
SMILESCc1cccc(Nc2ccccc2N(C)C)c1N
InChIInChI=1S/C15H19N3/c1-11-7-6-9-13(15(11)16)17-12-8-4-5-10-14(12)18(2)3/h4-10,17H,16H2,1-3H3
InChIKeyZIHVTFDDZLPIBX-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.39
Rot. Bonds3

About 1-N-[2-(dimethylamino)phenyl]-3-methylbenzene-1,2-diamine

1-N-[2-(dimethylamino)phenyl]-3-methylbenzene-1,2-diamine (PubChem CID 114041371) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-N-[2-(dimethylamino)phenyl]-3-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(dimethylamino)phenyl]-3-methylbenzene-1,2-diamine
PubChem CID114041371
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-N-[2-(dimethylamino)phenyl]-3-methylbenzene-1,2-diamine
SMILESCc1cccc(Nc2ccccc2N(C)C)c1N
InChIInChI=1S/C15H19N3/c1-11-7-6-9-13(15(11)16)17-12-8-4-5-10-14(12)18(2)3/h4-10,17H,16H2,1-3H3
InChIKeyZIHVTFDDZLPIBX-UHFFFAOYSA-N
XLogP3.39
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N-[2-(dimethylamino)phenyl]-3-methylbenzene-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-chloro-1-N-[2-(dimethylamino)phenyl]benzene-1,2-diamine
CID 106759458
1-N-(2,6-dimethylphenyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 23597994
3-methyl-1-N-phenylbenzene-1,2-diamine
CID 53424314
1-N-[2-(dimethylamino)phenyl]-3-ethoxybenzene-1,2-diamine
CID 106759471
1-N-[2-(dimethylamino)phenyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 106759459
1-N-(2-ethylphenyl)-3-methylbenzene-1,2-diamine
CID 114041167
1-N-[2-(dimethylamino)phenyl]-2,6-difluorobenzene-1,4-diamine
CID 106759464
2,6-dichloro-1-N-[2-(dimethylamino)phenyl]benzene-1,4-diamine
CID 106890898
2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 155291177
1-N,2-N,2-N-trimethylbenzene-1,2-diamine
CID 533455
5-N-[2-(dimethylamino)phenyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 106759506
4-amino-3-[2-(dimethylamino)anilino]benzoic acid
CID 106760641

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(dimethylamino)phenyl]-3-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-[2-(dimethylamino)phenyl]-3-methylbenzene-1,2-diamine (CID 114041371) is 1-N-[2-(dimethylamino)phenyl]-3-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-[2-(dimethylamino)phenyl]-3-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-[2-(dimethylamino)phenyl]-3-methylbenzene-1,2-diamine is Cc1cccc(Nc2ccccc2N(C)C)c1N.
What is the InChIKey of 1-N-[2-(dimethylamino)phenyl]-3-methylbenzene-1,2-diamine?
The InChIKey is ZIHVTFDDZLPIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-7-6-9-13(15(11)16)17-12-8-4-5-10-14(12)18(2)3/h4-10,17H,16H2,1-3H3.
What are the key properties of 1-N-[2-(dimethylamino)phenyl]-3-methylbenzene-1,2-diamine?
1-N-[2-(dimethylamino)phenyl]-3-methylbenzene-1,2-diamine has a molecular weight of 241.34 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(dimethylamino)phenyl]-3-methylbenzene-1,2-diamine is sourced from PubChem (CID 114041371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).