3-ethoxy-2-N-(3-ethoxyphenyl)benzene-1,2-diamine

C16H20N2O2 — CID 140989971

IUPAC3-ethoxy-2-N-(3-ethoxyphenyl)benzene-1,2-diamine
SMILESCCOc1cccc(Nc2c(N)cccc2OCC)c1
InChIInChI=1S/C16H20N2O2/c1-3-19-13-8-5-7-12(11-13)18-16-14(17)9-6-10-15(16)20-4-2/h5-11,18H,3-4,17H2,1-2H3
InChIKeyFKGTWJOZNFWZPT-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.81
Rot. Bonds6

About 3-ethoxy-2-N-(3-ethoxyphenyl)benzene-1,2-diamine

3-ethoxy-2-N-(3-ethoxyphenyl)benzene-1,2-diamine (PubChem CID 140989971) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-ethoxy-2-N-(3-ethoxyphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-ethoxy-2-N-(3-ethoxyphenyl)benzene-1,2-diamine
PubChem CID140989971
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-ethoxy-2-N-(3-ethoxyphenyl)benzene-1,2-diamine
SMILESCCOc1cccc(Nc2c(N)cccc2OCC)c1
InChIInChI=1S/C16H20N2O2/c1-3-19-13-8-5-7-12(11-13)18-16-14(17)9-6-10-15(16)20-4-2/h5-11,18H,3-4,17H2,1-2H3
InChIKeyFKGTWJOZNFWZPT-UHFFFAOYSA-N
XLogP3.81
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.81
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

3-amino-2-(3-ethoxyanilino)benzamide
CID 115934510
2-N-(4-ethoxy-3-methylphenyl)-3-methylbenzene-1,2-diamine
CID 115125939
2-N-(3-ethoxyphenyl)-4-fluorobenzene-1,2-diamine
CID 62377477
1-N-(3-ethoxyphenyl)-4-iodobenzene-1,2-diamine
CID 66066299
4-N-(3-ethoxyphenyl)pyrimidine-4,5-diamine
CID 79917337
2,6-dichloro-N-(3-ethoxyphenyl)-4-fluoroaniline
CID 141222673
N-(3-ethoxyphenyl)hydroxylamine
CID 13347158
3-chloro-2-N-(4-ethoxyphenyl)benzene-1,2-diamine
CID 29066424
2-amino-N-(3-ethoxyphenyl)-6-methoxybenzamide
CID 81394304
2-N-(3-ethoxyphenyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66101863
3-bromo-2-N-(3-ethoxyphenyl)pyridine-2,5-diamine
CID 79532623
4-N-(3-ethoxyphenyl)-5-methylpyrimidine-4,6-diamine
CID 80808104

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-N-(3-ethoxyphenyl)benzene-1,2-diamine?
The IUPAC name of 3-ethoxy-2-N-(3-ethoxyphenyl)benzene-1,2-diamine (CID 140989971) is 3-ethoxy-2-N-(3-ethoxyphenyl)benzene-1,2-diamine.
What is the SMILES notation for 3-ethoxy-2-N-(3-ethoxyphenyl)benzene-1,2-diamine?
The canonical SMILES for 3-ethoxy-2-N-(3-ethoxyphenyl)benzene-1,2-diamine is CCOc1cccc(Nc2c(N)cccc2OCC)c1.
What is the InChIKey of 3-ethoxy-2-N-(3-ethoxyphenyl)benzene-1,2-diamine?
The InChIKey is FKGTWJOZNFWZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-19-13-8-5-7-12(11-13)18-16-14(17)9-6-10-15(16)20-4-2/h5-11,18H,3-4,17H2,1-2H3.
What are the key properties of 3-ethoxy-2-N-(3-ethoxyphenyl)benzene-1,2-diamine?
3-ethoxy-2-N-(3-ethoxyphenyl)benzene-1,2-diamine has a molecular weight of 272.35 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-N-(3-ethoxyphenyl)benzene-1,2-diamine is sourced from PubChem (CID 140989971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).