2-N-(2-chloro-5-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine

C15H17ClN2O3 — CID 83004624

IUPAC2-N-(2-chloro-5-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine
SMILESCOc1ccc(Cl)c(Nc2cc(OC)c(OC)cc2N)c1
InChIInChI=1S/C15H17ClN2O3/c1-19-9-4-5-10(16)12(6-9)18-13-8-15(21-3)14(20-2)7-11(13)17/h4-8,18H,17H2,1-3H3
InChIKeyFVFBEUOVIRLMHK-UHFFFAOYSA-N
MW308.77 g/mol
LogP3.69
Rot. Bonds5

About 2-N-(2-chloro-5-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine

2-N-(2-chloro-5-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine (PubChem CID 83004624) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is 2-N-(2-chloro-5-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-chloro-5-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine
PubChem CID83004624
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC Name2-N-(2-chloro-5-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine
SMILESCOc1ccc(Cl)c(Nc2cc(OC)c(OC)cc2N)c1
InChIInChI=1S/C15H17ClN2O3/c1-19-9-4-5-10(16)12(6-9)18-13-8-15(21-3)14(20-2)7-11(13)17/h4-8,18H,17H2,1-3H3
InChIKeyFVFBEUOVIRLMHK-UHFFFAOYSA-N
XLogP3.69
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-N-(2-chloro-5-methoxyphenyl)-1H-indazole-5,6-diamine
CID 107489707
2-N-(3-chloro-4-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine
CID 83004208
4-N-(2-chloro-5-methoxyphenyl)pyrimidine-4,6-diamine
CID 80814894
4-methoxy-2-N-(4-methoxyphenyl)benzene-1,2-diamine
CID 69243063
4-N-(2-chloro-5-methoxyphenyl)quinoline-4,8-diamine
CID 83065865
1-N-(2-chloro-4-methoxyphenyl)-4-methylbenzene-1,2-diamine
CID 115124931
4-fluoro-5-methoxy-1-N-(4-methoxy-2-methylphenyl)benzene-1,2-diamine
CID 63598024
2-chloro-4-N-(2,4-dimethoxyphenyl)-5-methylbenzene-1,4-diamine
CID 115554471
5-bromo-4-N-(2-chloro-5-methoxyphenyl)pyrimidine-4,6-diamine
CID 114072136
3-chloro-4-(2-chloro-5-methoxyanilino)benzonitrile
CID 55194800
2-hydrazinyl-5-methoxyaniline
CID 119013430
2-N-(5-chloroquinolin-8-yl)-4-methoxybenzene-1,2-diamine
CID 116783039

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chloro-5-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine?
The IUPAC name of 2-N-(2-chloro-5-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine (CID 83004624) is 2-N-(2-chloro-5-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-chloro-5-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine?
The canonical SMILES for 2-N-(2-chloro-5-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine is COc1ccc(Cl)c(Nc2cc(OC)c(OC)cc2N)c1.
What is the InChIKey of 2-N-(2-chloro-5-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine?
The InChIKey is FVFBEUOVIRLMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-19-9-4-5-10(16)12(6-9)18-13-8-15(21-3)14(20-2)7-11(13)17/h4-8,18H,17H2,1-3H3.
What are the key properties of 2-N-(2-chloro-5-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine?
2-N-(2-chloro-5-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine has a molecular weight of 308.77 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chloro-5-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine is sourced from PubChem (CID 83004624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).