2-chloro-4-N-(2,4-dimethoxyphenyl)-5-methylbenzene-1,4-diamine

C15H17ClN2O2 — CID 115554471

IUPAC2-chloro-4-N-(2,4-dimethoxyphenyl)-5-methylbenzene-1,4-diamine
SMILESCOc1ccc(Nc2cc(Cl)c(N)cc2C)c(OC)c1
InChIInChI=1S/C15H17ClN2O2/c1-9-6-12(17)11(16)8-14(9)18-13-5-4-10(19-2)7-15(13)20-3/h4-8,18H,17H2,1-3H3
InChIKeyVDGPHADASZNWHQ-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.99
Rot. Bonds4

About 2-chloro-4-N-(2,4-dimethoxyphenyl)-5-methylbenzene-1,4-diamine

2-chloro-4-N-(2,4-dimethoxyphenyl)-5-methylbenzene-1,4-diamine (PubChem CID 115554471) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-chloro-4-N-(2,4-dimethoxyphenyl)-5-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-4-N-(2,4-dimethoxyphenyl)-5-methylbenzene-1,4-diamine
PubChem CID115554471
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name2-chloro-4-N-(2,4-dimethoxyphenyl)-5-methylbenzene-1,4-diamine
SMILESCOc1ccc(Nc2cc(Cl)c(N)cc2C)c(OC)c1
InChIInChI=1S/C15H17ClN2O2/c1-9-6-12(17)11(16)8-14(9)18-13-5-4-10(19-2)7-15(13)20-3/h4-8,18H,17H2,1-3H3
InChIKeyVDGPHADASZNWHQ-UHFFFAOYSA-N
XLogP3.99
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-4-N-(2,4-dimethoxyphenyl)-5-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

2-chloro-4-N-(2-methoxy-5-methylphenyl)-5-methylbenzene-1,4-diamine
CID 115554504
3-N-(2,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62588272
4,5-dichloro-N-(4-methoxy-2-methylphenyl)-2-methylaniline
CID 139788451
2-chloro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine
CID 62867858
1-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylbenzene-1,4-diamine
CID 43343044
1-N-(2-bromo-5-chloro-4-methylphenyl)-4-methoxybenzene-1,2-diamine
CID 104722286
2-chloro-4-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,4-diamine
CID 115554524
2-chloro-4-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,4-diamine
CID 115554521
1-N-(2-chloro-4-methoxyphenyl)-4-methylbenzene-1,2-diamine
CID 115124931
2-N-(2-chloro-5-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine
CID 83004624
2-chloro-4-N,5-dimethylbenzene-1,4-diamine
CID 79006794
4-fluoro-5-methoxy-1-N-(4-methoxy-2-methylphenyl)benzene-1,2-diamine
CID 63598024

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-(2,4-dimethoxyphenyl)-5-methylbenzene-1,4-diamine?
The IUPAC name of 2-chloro-4-N-(2,4-dimethoxyphenyl)-5-methylbenzene-1,4-diamine (CID 115554471) is 2-chloro-4-N-(2,4-dimethoxyphenyl)-5-methylbenzene-1,4-diamine.
What is the SMILES notation for 2-chloro-4-N-(2,4-dimethoxyphenyl)-5-methylbenzene-1,4-diamine?
The canonical SMILES for 2-chloro-4-N-(2,4-dimethoxyphenyl)-5-methylbenzene-1,4-diamine is COc1ccc(Nc2cc(Cl)c(N)cc2C)c(OC)c1.
What is the InChIKey of 2-chloro-4-N-(2,4-dimethoxyphenyl)-5-methylbenzene-1,4-diamine?
The InChIKey is VDGPHADASZNWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-9-6-12(17)11(16)8-14(9)18-13-5-4-10(19-2)7-15(13)20-3/h4-8,18H,17H2,1-3H3.
What are the key properties of 2-chloro-4-N-(2,4-dimethoxyphenyl)-5-methylbenzene-1,4-diamine?
2-chloro-4-N-(2,4-dimethoxyphenyl)-5-methylbenzene-1,4-diamine has a molecular weight of 292.77 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-(2,4-dimethoxyphenyl)-5-methylbenzene-1,4-diamine is sourced from PubChem (CID 115554471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).