4-chloro-2-N-(4-chloro-2-methoxy-5-methylphenyl)benzene-1,2-diamine

C14H14Cl2N2O — CID 115468524

IUPAC4-chloro-2-N-(4-chloro-2-methoxy-5-methylphenyl)benzene-1,2-diamine
SMILESCOc1cc(Cl)c(C)cc1Nc1cc(Cl)ccc1N
InChIInChI=1S/C14H14Cl2N2O/c1-8-5-13(14(19-2)7-10(8)16)18-12-6-9(15)3-4-11(12)17/h3-7,18H,17H2,1-2H3
InChIKeyFHBQULYKOQTLBX-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.64
Rot. Bonds3

About 4-chloro-2-N-(4-chloro-2-methoxy-5-methylphenyl)benzene-1,2-diamine

4-chloro-2-N-(4-chloro-2-methoxy-5-methylphenyl)benzene-1,2-diamine (PubChem CID 115468524) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 4-chloro-2-N-(4-chloro-2-methoxy-5-methylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-(4-chloro-2-methoxy-5-methylphenyl)benzene-1,2-diamine
PubChem CID115468524
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name4-chloro-2-N-(4-chloro-2-methoxy-5-methylphenyl)benzene-1,2-diamine
SMILESCOc1cc(Cl)c(C)cc1Nc1cc(Cl)ccc1N
InChIInChI=1S/C14H14Cl2N2O/c1-8-5-13(14(19-2)7-10(8)16)18-12-6-9(15)3-4-11(12)17/h3-7,18H,17H2,1-2H3
InChIKeyFHBQULYKOQTLBX-UHFFFAOYSA-N
XLogP4.64
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(5-chloro-2-methoxyphenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589872
4-bromo-2-N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluorobenzene-1,2-diamine
CID 116735392
2-N-(2-methoxy-4,5-dimethylphenyl)-4-methylbenzene-1,2-diamine
CID 115126204
3-amino-4-(4-chloro-2-methoxy-5-methylanilino)benzoic acid
CID 60989481
4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine
CID 79915939
2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,3-diamine
CID 28846412
5-chloro-1-N-(4-chloro-2-methoxy-5-methylphenyl)-6-fluorobenzene-1,2,4-triamine
CID 103552563
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylpyridine-2,5-diamine
CID 79021315
N-(2-amino-5-methylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532479
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
CID 108955473
4-chloro-2-N-(2,4-dimethylphenyl)benzene-1,2-diamine
CID 115468556
4-chloro-2-N-(2-chloro-4-methylphenyl)benzene-1,2-diamine
CID 115468574

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-(4-chloro-2-methoxy-5-methylphenyl)benzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-(4-chloro-2-methoxy-5-methylphenyl)benzene-1,2-diamine (CID 115468524) is 4-chloro-2-N-(4-chloro-2-methoxy-5-methylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-(4-chloro-2-methoxy-5-methylphenyl)benzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-(4-chloro-2-methoxy-5-methylphenyl)benzene-1,2-diamine is COc1cc(Cl)c(C)cc1Nc1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-N-(4-chloro-2-methoxy-5-methylphenyl)benzene-1,2-diamine?
The InChIKey is FHBQULYKOQTLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-8-5-13(14(19-2)7-10(8)16)18-12-6-9(15)3-4-11(12)17/h3-7,18H,17H2,1-2H3.
What are the key properties of 4-chloro-2-N-(4-chloro-2-methoxy-5-methylphenyl)benzene-1,2-diamine?
4-chloro-2-N-(4-chloro-2-methoxy-5-methylphenyl)benzene-1,2-diamine has a molecular weight of 297.19 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-(4-chloro-2-methoxy-5-methylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 115468524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).