2-N-(3-chloro-4-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine

C15H17ClN2O3 — CID 83004208

IUPAC2-N-(3-chloro-4-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine
SMILESCOc1ccc(Nc2cc(OC)c(OC)cc2N)cc1Cl
InChIInChI=1S/C15H17ClN2O3/c1-19-13-5-4-9(6-10(13)16)18-12-8-15(21-3)14(20-2)7-11(12)17/h4-8,18H,17H2,1-3H3
InChIKeyOKJCARZHHZTXKA-UHFFFAOYSA-N
MW308.77 g/mol
LogP3.69
Rot. Bonds5

About 2-N-(3-chloro-4-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine

2-N-(3-chloro-4-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine (PubChem CID 83004208) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is 2-N-(3-chloro-4-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-chloro-4-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine
PubChem CID83004208
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC Name2-N-(3-chloro-4-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine
SMILESCOc1ccc(Nc2cc(OC)c(OC)cc2N)cc1Cl
InChIInChI=1S/C15H17ClN2O3/c1-19-13-5-4-9(6-10(13)16)18-12-8-15(21-3)14(20-2)7-11(12)17/h4-8,18H,17H2,1-3H3
InChIKeyOKJCARZHHZTXKA-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

1-N-(3-chloro-4-methoxyphenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589840
1-N-(3-chloro-4-methoxyphenyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258678
4-N-(3-chloro-4-methoxyphenyl)-2-methoxybenzene-1,4-diamine
CID 55233537
1-N-(3-chloro-4-methoxyphenyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43448023
3-N-(3-chloro-4-methoxyphenyl)-4-methylbenzene-1,3-diamine
CID 55091841
4-(2-amino-4,5-dimethoxyanilino)benzonitrile
CID 83001038
2-N-(2-chloro-5-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine
CID 83004624
4-chloro-5-fluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,2-diamine
CID 114837240
2-N-(3-chloro-4-methoxyphenyl)-3-methylbenzene-1,2-diamine
CID 113333668
8-N-(3-chloro-4-methoxyphenyl)isoquinoline-5,8-diamine
CID 103136960
4-(3-chloro-4-methoxyanilino)phenol
CID 82537279
3-amino-4-(3-chloro-4-methoxyanilino)-N-propylbenzamide
CID 100631228

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-4-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine?
The IUPAC name of 2-N-(3-chloro-4-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine (CID 83004208) is 2-N-(3-chloro-4-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine.
What is the SMILES notation for 2-N-(3-chloro-4-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine?
The canonical SMILES for 2-N-(3-chloro-4-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine is COc1ccc(Nc2cc(OC)c(OC)cc2N)cc1Cl.
What is the InChIKey of 2-N-(3-chloro-4-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine?
The InChIKey is OKJCARZHHZTXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-19-13-5-4-9(6-10(13)16)18-12-8-15(21-3)14(20-2)7-11(12)17/h4-8,18H,17H2,1-3H3.
What are the key properties of 2-N-(3-chloro-4-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine?
2-N-(3-chloro-4-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-(3-chloro-4-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine is sourced from PubChem (CID 83004208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).