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

C15H17ClN2O3 — CID 29066564

IUPAC3-chloro-2-N-(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
SMILESCOc1cc(Nc2c(N)cccc2Cl)cc(OC)c1OC
InChIInChI=1S/C15H17ClN2O3/c1-19-12-7-9(8-13(20-2)15(12)21-3)18-14-10(16)5-4-6-11(14)17/h4-8,18H,17H2,1-3H3
InChIKeyHCJCDWNWWSUDCA-UHFFFAOYSA-N
MW308.77 g/mol
LogP3.69
Rot. Bonds5

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

3-chloro-2-N-(3,4,5-trimethoxyphenyl)benzene-1,2-diamine (PubChem CID 29066564) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is 3-chloro-2-N-(3,4,5-trimethoxyphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-2-N-(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
PubChem CID29066564
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC Name3-chloro-2-N-(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
SMILESCOc1cc(Nc2c(N)cccc2Cl)cc(OC)c1OC
InChIInChI=1S/C15H17ClN2O3/c1-19-12-7-9(8-13(20-2)15(12)21-3)18-14-10(16)5-4-6-11(14)17/h4-8,18H,17H2,1-3H3
InChIKeyHCJCDWNWWSUDCA-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

3-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine
CID 43148696
3-chloro-2-N-(4-methoxy-3-methylphenyl)benzene-1,2-diamine
CID 54964711
3-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19624482
N-(3-chlorophenyl)-3,4,5-trimethoxyaniline
CID 102029180
2-N-(3-chloro-4-methoxyphenyl)-3-methylbenzene-1,2-diamine
CID 113333668
3-N-(2,6-dichlorophenyl)-5-methoxybenzene-1,3-diamine
CID 80735790
3-chloro-2-N-(3-iodophenyl)benzene-1,2-diamine
CID 29067112
3-chloro-2-N-[3-(dimethylamino)phenyl]benzene-1,2-diamine
CID 113297464
1-N,2-N-bis(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
CID 171934003
2-N-(2-chlorophenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112903653
3-chloro-2-methoxyaniline;hydrochloride
CID 17233805
3-chloro-2-N-(4-ethoxyphenyl)benzene-1,2-diamine
CID 29066424

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-(3,4,5-trimethoxyphenyl)benzene-1,2-diamine?
The IUPAC name of 3-chloro-2-N-(3,4,5-trimethoxyphenyl)benzene-1,2-diamine (CID 29066564) is 3-chloro-2-N-(3,4,5-trimethoxyphenyl)benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-2-N-(3,4,5-trimethoxyphenyl)benzene-1,2-diamine?
The canonical SMILES for 3-chloro-2-N-(3,4,5-trimethoxyphenyl)benzene-1,2-diamine is COc1cc(Nc2c(N)cccc2Cl)cc(OC)c1OC.
What is the InChIKey of 3-chloro-2-N-(3,4,5-trimethoxyphenyl)benzene-1,2-diamine?
The InChIKey is HCJCDWNWWSUDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-19-12-7-9(8-13(20-2)15(12)21-3)18-14-10(16)5-4-6-11(14)17/h4-8,18H,17H2,1-3H3.
What are the key properties of 3-chloro-2-N-(3,4,5-trimethoxyphenyl)benzene-1,2-diamine?
3-chloro-2-N-(3,4,5-trimethoxyphenyl)benzene-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 3-chloro-2-N-(3,4,5-trimethoxyphenyl)benzene-1,2-diamine is sourced from PubChem (CID 29066564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).