4-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine

C14H15ClN2O2 — CID 115468540

IUPAC4-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine
SMILESCOc1cc(Nc2cc(Cl)ccc2N)cc(OC)c1
InChIInChI=1S/C14H15ClN2O2/c1-18-11-6-10(7-12(8-11)19-2)17-14-5-9(15)3-4-13(14)16/h3-8,17H,16H2,1-2H3
InChIKeyYLRHJJWKVKZALC-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.68
Rot. Bonds4

About 4-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine

4-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine (PubChem CID 115468540) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine
PubChem CID115468540
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name4-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine
SMILESCOc1cc(Nc2cc(Cl)ccc2N)cc(OC)c1
InChIInChI=1S/C14H15ClN2O2/c1-18-11-6-10(7-12(8-11)19-2)17-14-5-9(15)3-4-13(14)16/h3-8,17H,16H2,1-2H3
InChIKeyYLRHJJWKVKZALC-UHFFFAOYSA-N
XLogP3.68
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.68
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

4-chloro-2-N-phenylbenzene-1,2-diamine
CID 526554
5-chloro-2-(3,5-dimethoxyanilino)benzoic acid
CID 63536953
4-methoxy-2-N-(4-methoxyphenyl)benzene-1,2-diamine
CID 69243063
4-chloro-2-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine
CID 113315750
3-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine
CID 43148696
4-chloro-2-N-(4-chloro-2-methoxy-5-methylphenyl)benzene-1,2-diamine
CID 115468524
2-N-(4-fluoro-3-methoxyphenyl)-4-methoxybenzene-1,2-diamine
CID 114837286
3-N-(2-chloro-3-methylphenyl)-5-methoxybenzene-1,3-diamine
CID 114251434
2-N-(3-bromo-5-methoxyphenyl)benzene-1,2-diamine
CID 82857715
3-N-(5-chloro-2-methoxyphenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80727041
5-chloro-2-(3,5-dimethoxyphenyl)aniline
CID 81274669
3-N-(2-chloro-4-methylphenyl)-5-methoxybenzene-1,3-diamine
CID 80723730

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine (CID 115468540) is 4-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine is COc1cc(Nc2cc(Cl)ccc2N)cc(OC)c1.
What is the InChIKey of 4-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine?
The InChIKey is YLRHJJWKVKZALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-18-11-6-10(7-12(8-11)19-2)17-14-5-9(15)3-4-13(14)16/h3-8,17H,16H2,1-2H3.
What are the key properties of 4-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine?
4-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine has a molecular weight of 278.74 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine is sourced from PubChem (CID 115468540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).