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

C15H17ClN2O2 — CID 43343044

IUPAC1-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylbenzene-1,4-diamine
SMILESCOc1cc(OC)c(Nc2ccc(N)cc2C)cc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-9-6-10(17)4-5-12(9)18-13-7-11(16)14(19-2)8-15(13)20-3/h4-8,18H,17H2,1-3H3
InChIKeyXORDQLUQQVFFPR-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.99
Rot. Bonds4

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

1-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylbenzene-1,4-diamine (PubChem CID 43343044) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 1-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylbenzene-1,4-diamine
PubChem CID43343044
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name1-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylbenzene-1,4-diamine
SMILESCOc1cc(OC)c(Nc2ccc(N)cc2C)cc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-9-6-10(17)4-5-12(9)18-13-7-11(16)14(19-2)8-15(13)20-3/h4-8,18H,17H2,1-3H3
InChIKeyXORDQLUQQVFFPR-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'}

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Related Compounds

2-chloro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine
CID 62867858
2-N-(5-chloro-2,4-dimethoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79173617
2-chloro-4-N-(2,4-dimethoxyphenyl)-5-methylbenzene-1,4-diamine
CID 115554471
2-(5-chloro-2,4-dimethoxyanilino)-5-methylbenzonitrile
CID 107926886
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(5-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine
CID 22547319
3-N-(3-chloro-4-methoxyphenyl)-4-methylbenzene-1,3-diamine
CID 55091841
2-chloro-4-N-(2-methoxy-5-methylphenyl)-5-methylbenzene-1,4-diamine
CID 115554504
1-N-(4-fluoro-3-methoxyphenyl)-2-methylbenzene-1,4-diamine
CID 114837165
3-N-(2,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62588272
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148297
5-chloro-2,4-dimethoxy-N-methylaniline
CID 28576065
1-N-(4-bromo-2,3-dichlorophenyl)-2-methylbenzene-1,4-diamine
CID 114001530

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylbenzene-1,4-diamine?
The IUPAC name of 1-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylbenzene-1,4-diamine (CID 43343044) is 1-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylbenzene-1,4-diamine is COc1cc(OC)c(Nc2ccc(N)cc2C)cc1Cl.
What is the InChIKey of 1-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylbenzene-1,4-diamine?
The InChIKey is XORDQLUQQVFFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-9-6-10(17)4-5-12(9)18-13-7-11(16)14(19-2)8-15(13)20-3/h4-8,18H,17H2,1-3H3.
What are the key properties of 1-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylbenzene-1,4-diamine?
1-N-(5-chloro-2,4-dimethoxyphenyl)-2-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 1-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 43343044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).