2-N-(3-chloro-4-methoxyphenyl)-3-methylbenzene-1,2-diamine

C14H15ClN2O — CID 113333668

IUPAC2-N-(3-chloro-4-methoxyphenyl)-3-methylbenzene-1,2-diamine
SMILESCOc1ccc(Nc2c(C)cccc2N)cc1Cl
InChIInChI=1S/C14H15ClN2O/c1-9-4-3-5-12(16)14(9)17-10-6-7-13(18-2)11(15)8-10/h3-8,17H,16H2,1-2H3
InChIKeyHZBIWYSUIAUMQI-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.98
Rot. Bonds3

About 2-N-(3-chloro-4-methoxyphenyl)-3-methylbenzene-1,2-diamine

2-N-(3-chloro-4-methoxyphenyl)-3-methylbenzene-1,2-diamine (PubChem CID 113333668) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-N-(3-chloro-4-methoxyphenyl)-3-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-chloro-4-methoxyphenyl)-3-methylbenzene-1,2-diamine
PubChem CID113333668
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name2-N-(3-chloro-4-methoxyphenyl)-3-methylbenzene-1,2-diamine
SMILESCOc1ccc(Nc2c(C)cccc2N)cc1Cl
InChIInChI=1S/C14H15ClN2O/c1-9-4-3-5-12(16)14(9)17-10-6-7-13(18-2)11(15)8-10/h3-8,17H,16H2,1-2H3
InChIKeyHZBIWYSUIAUMQI-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

3-chloro-2-N-(4-methoxy-3-methylphenyl)benzene-1,2-diamine
CID 54964711
4-N-(3-chloro-4-methoxyphenyl)-2-methoxybenzene-1,4-diamine
CID 55233537
2-N-(4-ethoxy-3-methylphenyl)-3-methylbenzene-1,2-diamine
CID 115125939
1-(3-chloro-4-methoxyphenyl)-3-(2,6-dimethylphenyl)thiourea
CID 42993028
2-N-(3-chloro-4-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine
CID 83004208
3-N-(3-chloro-4-methoxyphenyl)-4-methylbenzene-1,3-diamine
CID 55091841
1-N-(3-chloro-4-methoxyphenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589840
2-N-(4-methoxy-2,5-dimethylphenyl)-3-methylbenzene-1,2-diamine
CID 115125930
5-N-(3-chloro-4-methoxyphenyl)-3-N-(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963748
4-N-(3-chloro-4-methoxyphenyl)quinoline-3,4-diamine
CID 103962773
3-chloro-2-N-(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
CID 29066564
2-N-[3-bromo-4-(trifluoromethoxy)phenyl]-3-methylbenzene-1,2-diamine
CID 107335791

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-4-methoxyphenyl)-3-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-(3-chloro-4-methoxyphenyl)-3-methylbenzene-1,2-diamine (CID 113333668) is 2-N-(3-chloro-4-methoxyphenyl)-3-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(3-chloro-4-methoxyphenyl)-3-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(3-chloro-4-methoxyphenyl)-3-methylbenzene-1,2-diamine is COc1ccc(Nc2c(C)cccc2N)cc1Cl.
What is the InChIKey of 2-N-(3-chloro-4-methoxyphenyl)-3-methylbenzene-1,2-diamine?
The InChIKey is HZBIWYSUIAUMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-9-4-3-5-12(16)14(9)17-10-6-7-13(18-2)11(15)8-10/h3-8,17H,16H2,1-2H3.
What are the key properties of 2-N-(3-chloro-4-methoxyphenyl)-3-methylbenzene-1,2-diamine?
2-N-(3-chloro-4-methoxyphenyl)-3-methylbenzene-1,2-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-N-(3-chloro-4-methoxyphenyl)-3-methylbenzene-1,2-diamine is sourced from PubChem (CID 113333668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).