4,5-dimethoxy-2-N-(2-propylphenyl)benzene-1,2-diamine

C17H22N2O2 — CID 83004444

IUPAC4,5-dimethoxy-2-N-(2-propylphenyl)benzene-1,2-diamine
SMILESCCCc1ccccc1Nc1cc(OC)c(OC)cc1N
InChIInChI=1S/C17H22N2O2/c1-4-7-12-8-5-6-9-14(12)19-15-11-17(21-3)16(20-2)10-13(15)18/h5-6,8-11,19H,4,7,18H2,1-3H3
InChIKeyWTOMPARBYIZJBV-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.98
Rot. Bonds6

About 4,5-dimethoxy-2-N-(2-propylphenyl)benzene-1,2-diamine

4,5-dimethoxy-2-N-(2-propylphenyl)benzene-1,2-diamine (PubChem CID 83004444) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4,5-dimethoxy-2-N-(2-propylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4,5-dimethoxy-2-N-(2-propylphenyl)benzene-1,2-diamine
PubChem CID83004444
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name4,5-dimethoxy-2-N-(2-propylphenyl)benzene-1,2-diamine
SMILESCCCc1ccccc1Nc1cc(OC)c(OC)cc1N
InChIInChI=1S/C17H22N2O2/c1-4-7-12-8-5-6-9-14(12)19-15-11-17(21-3)16(20-2)10-13(15)18/h5-6,8-11,19H,4,7,18H2,1-3H3
InChIKeyWTOMPARBYIZJBV-UHFFFAOYSA-N
XLogP3.98
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.98
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

2-N-(2-ethylphenyl)-4,5-dimethoxybenzene-1,2-diamine
CID 83001518
4-chloro-2-N-(2-propylphenyl)benzene-1,2-diamine
CID 115468772
6,7-dimethoxy-N-(2-propylphenyl)quinazolin-4-amine
CID 68916243
4-nitro-1-N-(2-propylphenyl)benzene-1,2-diamine
CID 62507468
4-methoxy-1-N-phenyl-5-phenylmethoxybenzene-1,2-diamine
CID 72699042
4-fluoro-1-N-(2-fluorophenyl)-5-methoxybenzene-1,2-diamine
CID 63599048
4-N-(2-propylphenyl)-1H-pyrazole-4,5-diamine
CID 114995960
1-N-(2-ethylphenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63593992
2-N-benzyl-4,5-dimethoxybenzene-1,2-diamine
CID 13230181
2-(difluoromethyl)-1-N-(2-propylphenyl)benzene-1,4-diamine
CID 63734623
6-propoxy-2-N-(2-propylphenyl)pyridine-2,5-diamine
CID 63402851
4,5-dimethoxy-2-N-[3-(methoxymethyl)phenyl]benzene-1,2-diamine
CID 83004428

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-N-(2-propylphenyl)benzene-1,2-diamine?
The IUPAC name of 4,5-dimethoxy-2-N-(2-propylphenyl)benzene-1,2-diamine (CID 83004444) is 4,5-dimethoxy-2-N-(2-propylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 4,5-dimethoxy-2-N-(2-propylphenyl)benzene-1,2-diamine?
The canonical SMILES for 4,5-dimethoxy-2-N-(2-propylphenyl)benzene-1,2-diamine is CCCc1ccccc1Nc1cc(OC)c(OC)cc1N.
What is the InChIKey of 4,5-dimethoxy-2-N-(2-propylphenyl)benzene-1,2-diamine?
The InChIKey is WTOMPARBYIZJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-7-12-8-5-6-9-14(12)19-15-11-17(21-3)16(20-2)10-13(15)18/h5-6,8-11,19H,4,7,18H2,1-3H3.
What are the key properties of 4,5-dimethoxy-2-N-(2-propylphenyl)benzene-1,2-diamine?
4,5-dimethoxy-2-N-(2-propylphenyl)benzene-1,2-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-N-(2-propylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 83004444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).