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

C14H15ClN2O — CID 62867858

IUPAC2-chloro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine
SMILESCOc1ccc(Nc2ccc(N)cc2Cl)c(C)c1
InChIInChI=1S/C14H15ClN2O/c1-9-7-11(18-2)4-6-13(9)17-14-5-3-10(16)8-12(14)15/h3-8,17H,16H2,1-2H3
InChIKeyUCJYYZAWFGYYGP-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.98
Rot. Bonds3

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

2-chloro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine (PubChem CID 62867858) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-chloro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine
PubChem CID62867858
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name2-chloro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine
SMILESCOc1ccc(Nc2ccc(N)cc2Cl)c(C)c1
InChIInChI=1S/C14H15ClN2O/c1-9-7-11(18-2)4-6-13(9)17-14-5-3-10(16)8-12(14)15/h3-8,17H,16H2,1-2H3
InChIKeyUCJYYZAWFGYYGP-UHFFFAOYSA-N
XLogP3.98
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.98
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-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine
CID 55130091
4,5-dichloro-N-(4-methoxy-2-methylphenyl)-2-methylaniline
CID 139788451
N-(4-chloro-2-methylphenyl)-4-methoxy-2-methylaniline
CID 139611066
1-N-(2-chloro-4-methoxyphenyl)-4-methylbenzene-1,2-diamine
CID 115124931
1-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylbenzene-1,4-diamine
CID 43343044
2-chloro-4-methoxy-N-(4-methoxyphenyl)aniline
CID 139794718
3-N-(2,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62588272
4-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,2-diamine
CID 62868013
2-chloro-4-N-(2,4-dimethoxyphenyl)-5-methylbenzene-1,4-diamine
CID 115554471
4-fluoro-1-N-(4-methoxy-2-methylphenyl)-5-methylbenzene-1,2-diamine
CID 103590332
4-N-(4-methoxy-2-methylphenyl)-1H-pyrazole-4,5-diamine
CID 82237771
6-chloro-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,5-diamine
CID 63024300

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine?
The IUPAC name of 2-chloro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine (CID 62867858) is 2-chloro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 2-chloro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine?
The canonical SMILES for 2-chloro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine is COc1ccc(Nc2ccc(N)cc2Cl)c(C)c1.
What is the InChIKey of 2-chloro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine?
The InChIKey is UCJYYZAWFGYYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-9-7-11(18-2)4-6-13(9)17-14-5-3-10(16)8-12(14)15/h3-8,17H,16H2,1-2H3.
What are the key properties of 2-chloro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine?
2-chloro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine has a molecular weight of 262.74 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 62867858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).