3-chloro-1-N-(2,3-dimethylphenyl)benzene-1,2-diamine

C14H15ClN2 — CID 104834056

IUPAC3-chloro-1-N-(2,3-dimethylphenyl)benzene-1,2-diamine
SMILESCc1cccc(Nc2cccc(Cl)c2N)c1C
InChIInChI=1S/C14H15ClN2/c1-9-5-3-7-12(10(9)2)17-13-8-4-6-11(15)14(13)16/h3-8,17H,16H2,1-2H3
InChIKeyCMRMARLYCNNBPO-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.28
Rot. Bonds2

About 3-chloro-1-N-(2,3-dimethylphenyl)benzene-1,2-diamine

3-chloro-1-N-(2,3-dimethylphenyl)benzene-1,2-diamine (PubChem CID 104834056) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 3-chloro-1-N-(2,3-dimethylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-1-N-(2,3-dimethylphenyl)benzene-1,2-diamine
PubChem CID104834056
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name3-chloro-1-N-(2,3-dimethylphenyl)benzene-1,2-diamine
SMILESCc1cccc(Nc2cccc(Cl)c2N)c1C
InChIInChI=1S/C14H15ClN2/c1-9-5-3-7-12(10(9)2)17-13-8-4-6-11(15)14(13)16/h3-8,17H,16H2,1-2H3
InChIKeyCMRMARLYCNNBPO-UHFFFAOYSA-N
XLogP4.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-1-N-(2,3-dimethylphenyl)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

6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19143159
4-chloro-2-N-(2,3-dimethylphenyl)benzene-1,2-diamine
CID 113315599
1-N-(2-bromo-3-chlorophenyl)-3-chlorobenzene-1,2-diamine
CID 103477400
3-chloro-1-N-(4-chlorophenyl)benzene-1,2-diamine
CID 104834042
2-amino-3-(2,3-dimethylanilino)benzenesulfonamide
CID 115992330
3-chloro-1-N-(2-iodophenyl)benzene-1,2-diamine
CID 104834035
3-chloro-1-N-[2-(dimethylamino)phenyl]benzene-1,2-diamine
CID 106759458
3-chloro-1-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 104834692
1-N-tert-butyl-3-chlorobenzene-1,2-diamine
CID 68721117
3-chloro-1-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 113458519
2,3-dimethyl-N-phenylaniline
CID 14952469
3-chloro-1-N-(2,4,5-trifluorophenyl)benzene-1,2-diamine
CID 104834471

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-N-(2,3-dimethylphenyl)benzene-1,2-diamine?
The IUPAC name of 3-chloro-1-N-(2,3-dimethylphenyl)benzene-1,2-diamine (CID 104834056) is 3-chloro-1-N-(2,3-dimethylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-1-N-(2,3-dimethylphenyl)benzene-1,2-diamine?
The canonical SMILES for 3-chloro-1-N-(2,3-dimethylphenyl)benzene-1,2-diamine is Cc1cccc(Nc2cccc(Cl)c2N)c1C.
What is the InChIKey of 3-chloro-1-N-(2,3-dimethylphenyl)benzene-1,2-diamine?
The InChIKey is CMRMARLYCNNBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-9-5-3-7-12(10(9)2)17-13-8-4-6-11(15)14(13)16/h3-8,17H,16H2,1-2H3.
What are the key properties of 3-chloro-1-N-(2,3-dimethylphenyl)benzene-1,2-diamine?
3-chloro-1-N-(2,3-dimethylphenyl)benzene-1,2-diamine has a molecular weight of 246.74 g/mol, XLogP of 4.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-N-(2,3-dimethylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 104834056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).