2-N-(2-ethylphenyl)-4,5-dimethoxybenzene-1,2-diamine

C16H20N2O2 — CID 83001518

IUPAC2-N-(2-ethylphenyl)-4,5-dimethoxybenzene-1,2-diamine
SMILESCCc1ccccc1Nc1cc(OC)c(OC)cc1N
InChIInChI=1S/C16H20N2O2/c1-4-11-7-5-6-8-13(11)18-14-10-16(20-3)15(19-2)9-12(14)17/h5-10,18H,4,17H2,1-3H3
InChIKeyQVAOCEUMMKPDOK-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.59
Rot. Bonds5

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

2-N-(2-ethylphenyl)-4,5-dimethoxybenzene-1,2-diamine (PubChem CID 83001518) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-N-(2-ethylphenyl)-4,5-dimethoxybenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-ethylphenyl)-4,5-dimethoxybenzene-1,2-diamine
PubChem CID83001518
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-N-(2-ethylphenyl)-4,5-dimethoxybenzene-1,2-diamine
SMILESCCc1ccccc1Nc1cc(OC)c(OC)cc1N
InChIInChI=1S/C16H20N2O2/c1-4-11-7-5-6-8-13(11)18-14-10-16(20-3)15(19-2)9-12(14)17/h5-10,18H,4,17H2,1-3H3
InChIKeyQVAOCEUMMKPDOK-UHFFFAOYSA-N
XLogP3.59
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.59
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

4,5-dimethoxy-2-N-(2-propylphenyl)benzene-1,2-diamine
CID 83004444
1-N-(2-ethylphenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63593992
4-chloro-2-N-(2-ethylphenyl)benzene-1,2-diamine
CID 115468565
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
2-N-benzyl-4,5-dimethoxybenzene-1,2-diamine
CID 13230181
2-N-(5-ethyl-2-methoxyphenyl)benzene-1,2-diamine
CID 115124269
1-N-(2-ethylphenyl)-3-methylbenzene-1,2-diamine
CID 114041167
N-(2-amino-4,5-dimethoxyphenyl)benzenesulfonamide
CID 43550840
methyl 2-amino-3-(2-ethylanilino)benzoate
CID 115544520
N-(2-ethylphenyl)-8-methoxy-2-methylquinolin-4-amine;dihydrochloride
CID 45125627
2-(2-ethylanilino)-4-methoxybenzenecarbothioamide
CID 81306826

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethylphenyl)-4,5-dimethoxybenzene-1,2-diamine?
The IUPAC name of 2-N-(2-ethylphenyl)-4,5-dimethoxybenzene-1,2-diamine (CID 83001518) is 2-N-(2-ethylphenyl)-4,5-dimethoxybenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-ethylphenyl)-4,5-dimethoxybenzene-1,2-diamine?
The canonical SMILES for 2-N-(2-ethylphenyl)-4,5-dimethoxybenzene-1,2-diamine is CCc1ccccc1Nc1cc(OC)c(OC)cc1N.
What is the InChIKey of 2-N-(2-ethylphenyl)-4,5-dimethoxybenzene-1,2-diamine?
The InChIKey is QVAOCEUMMKPDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-11-7-5-6-8-13(11)18-14-10-16(20-3)15(19-2)9-12(14)17/h5-10,18H,4,17H2,1-3H3.
What are the key properties of 2-N-(2-ethylphenyl)-4,5-dimethoxybenzene-1,2-diamine?
2-N-(2-ethylphenyl)-4,5-dimethoxybenzene-1,2-diamine has a molecular weight of 272.35 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethylphenyl)-4,5-dimethoxybenzene-1,2-diamine is sourced from PubChem (CID 83001518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).