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

C14H15ClN2 — CID 117027234

IUPAC4-N-(3-chloro-2-methylphenyl)-1-N-methylbenzene-1,4-diamine
SMILESCNc1ccc(Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C14H15ClN2/c1-10-13(15)4-3-5-14(10)17-12-8-6-11(16-2)7-9-12/h3-9,16-17H,1-2H3
InChIKeyIXAWTYSAPRUEIY-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.43
Rot. Bonds3

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

4-N-(3-chloro-2-methylphenyl)-1-N-methylbenzene-1,4-diamine (PubChem CID 117027234) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 4-N-(3-chloro-2-methylphenyl)-1-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-2-methylphenyl)-1-N-methylbenzene-1,4-diamine
PubChem CID117027234
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name4-N-(3-chloro-2-methylphenyl)-1-N-methylbenzene-1,4-diamine
SMILESCNc1ccc(Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C14H15ClN2/c1-10-13(15)4-3-5-14(10)17-12-8-6-11(16-2)7-9-12/h3-9,16-17H,1-2H3
InChIKeyIXAWTYSAPRUEIY-UHFFFAOYSA-N
XLogP4.43
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}

Analyze 4-N-(3-chloro-2-methylphenyl)-1-N-methylbenzene-1,4-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

4-(3-chloro-2-methylanilino)benzonitrile
CID 29031552
6-N-(3-chloro-2-methylphenyl)-2-N-methylpyridine-2,6-diamine
CID 80763212
4-N-(3-chloro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762667
CID 59528238
CID 59528238
2-chloro-6-(3-chloro-2-methylanilino)benzenecarbothioamide
CID 62501422
2-chloro-6-(4-methylanilino)phenol
CID 171920198
2-(3-chloro-2-methylanilino)benzenecarbothioamide
CID 29053926
N-(3-chloro-2-methylphenyl)methanesulfonamide
CID 669020
4-N-(3-chloro-2-methylphenyl)-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927418
5-chloro-2-(3-chloro-2-methylanilino)benzonitrile
CID 63516498
2-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)-3-fluoroaniline
CID 95483003
copper bis(2-(3-chloro-2-methylanilino)benzoate)
CID 132532819

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-2-methylphenyl)-1-N-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-(3-chloro-2-methylphenyl)-1-N-methylbenzene-1,4-diamine (CID 117027234) is 4-N-(3-chloro-2-methylphenyl)-1-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(3-chloro-2-methylphenyl)-1-N-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(3-chloro-2-methylphenyl)-1-N-methylbenzene-1,4-diamine is CNc1ccc(Nc2cccc(Cl)c2C)cc1.
What is the InChIKey of 4-N-(3-chloro-2-methylphenyl)-1-N-methylbenzene-1,4-diamine?
The InChIKey is IXAWTYSAPRUEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-10-13(15)4-3-5-14(10)17-12-8-6-11(16-2)7-9-12/h3-9,16-17H,1-2H3.
What are the key properties of 4-N-(3-chloro-2-methylphenyl)-1-N-methylbenzene-1,4-diamine?
4-N-(3-chloro-2-methylphenyl)-1-N-methylbenzene-1,4-diamine has a molecular weight of 246.74 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-2-methylphenyl)-1-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 117027234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).