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

C15H17ClN2O — CID 115554504

IUPAC2-chloro-4-N-(2-methoxy-5-methylphenyl)-5-methylbenzene-1,4-diamine
SMILESCOc1ccc(C)cc1Nc1cc(Cl)c(N)cc1C
InChIInChI=1S/C15H17ClN2O/c1-9-4-5-15(19-3)14(6-9)18-13-8-11(16)12(17)7-10(13)2/h4-8,18H,17H2,1-3H3
InChIKeyJLOBPEDDDIAZTI-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.29
Rot. Bonds3

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

2-chloro-4-N-(2-methoxy-5-methylphenyl)-5-methylbenzene-1,4-diamine (PubChem CID 115554504) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-chloro-4-N-(2-methoxy-5-methylphenyl)-5-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-4-N-(2-methoxy-5-methylphenyl)-5-methylbenzene-1,4-diamine
PubChem CID115554504
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name2-chloro-4-N-(2-methoxy-5-methylphenyl)-5-methylbenzene-1,4-diamine
SMILESCOc1ccc(C)cc1Nc1cc(Cl)c(N)cc1C
InChIInChI=1S/C15H17ClN2O/c1-9-4-5-15(19-3)14(6-9)18-13-8-11(16)12(17)7-10(13)2/h4-8,18H,17H2,1-3H3
InChIKeyJLOBPEDDDIAZTI-UHFFFAOYSA-N
XLogP4.29
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.29
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

2-chloro-4-N-(2,4-dimethoxyphenyl)-5-methylbenzene-1,4-diamine
CID 115554471
4-chloro-1-N-(2,5-dimethylphenyl)-6-methylbenzene-1,3-diamine
CID 163370554
4-chloro-5-fluoro-1-N-(2-methoxy-5-methylphenyl)benzene-1,2-diamine
CID 66078169
2-chloro-4-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,4-diamine
CID 115554521
2-N-(2-methoxy-4,5-dimethylphenyl)-4-methylbenzene-1,2-diamine
CID 115126204
1-N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1,3-diamine
CID 62912994
2-[2-(2-methoxy-5-methylanilino)-6-methylphenyl]-N-(2-methoxy-5-methylphenyl)-3-methylaniline
CID 101202824
2-chloro-4-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,4-diamine
CID 115554524
4-N-(5-bromo-2-methylphenyl)-2-chloro-5-methylbenzene-1,4-diamine
CID 115554624
1-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylbenzene-1,4-diamine
CID 43343044
2-chloro-6-(2-methoxy-5-methylanilino)benzenecarbothioamide
CID 62501918
3,5-dichloro-6-hydrazinyl-N-(2-methoxy-5-methylphenyl)pyridin-2-amine
CID 102762320

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-(2-methoxy-5-methylphenyl)-5-methylbenzene-1,4-diamine?
The IUPAC name of 2-chloro-4-N-(2-methoxy-5-methylphenyl)-5-methylbenzene-1,4-diamine (CID 115554504) is 2-chloro-4-N-(2-methoxy-5-methylphenyl)-5-methylbenzene-1,4-diamine.
What is the SMILES notation for 2-chloro-4-N-(2-methoxy-5-methylphenyl)-5-methylbenzene-1,4-diamine?
The canonical SMILES for 2-chloro-4-N-(2-methoxy-5-methylphenyl)-5-methylbenzene-1,4-diamine is COc1ccc(C)cc1Nc1cc(Cl)c(N)cc1C.
What is the InChIKey of 2-chloro-4-N-(2-methoxy-5-methylphenyl)-5-methylbenzene-1,4-diamine?
The InChIKey is JLOBPEDDDIAZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-9-4-5-15(19-3)14(6-9)18-13-8-11(16)12(17)7-10(13)2/h4-8,18H,17H2,1-3H3.
What are the key properties of 2-chloro-4-N-(2-methoxy-5-methylphenyl)-5-methylbenzene-1,4-diamine?
2-chloro-4-N-(2-methoxy-5-methylphenyl)-5-methylbenzene-1,4-diamine has a molecular weight of 276.77 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-(2-methoxy-5-methylphenyl)-5-methylbenzene-1,4-diamine is sourced from PubChem (CID 115554504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).