3-(3-aminophenyl)-4-ethoxyaniline

C14H16N2O — CID 68787828

IUPAC3-(3-aminophenyl)-4-ethoxyaniline
SMILESCCOc1ccc(N)cc1-c1cccc(N)c1
InChIInChI=1S/C14H16N2O/c1-2-17-14-7-6-12(16)9-13(14)10-4-3-5-11(15)8-10/h3-9H,2,15-16H2,1H3
InChIKeyQMXZUYGAEREIBC-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.92
Rot. Bonds3

About 3-(3-aminophenyl)-4-ethoxyaniline

3-(3-aminophenyl)-4-ethoxyaniline (PubChem CID 68787828) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-(3-aminophenyl)-4-ethoxyaniline.

Molecular Properties

Compound Name3-(3-aminophenyl)-4-ethoxyaniline
PubChem CID68787828
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name3-(3-aminophenyl)-4-ethoxyaniline
SMILESCCOc1ccc(N)cc1-c1cccc(N)c1
InChIInChI=1S/C14H16N2O/c1-2-17-14-7-6-12(16)9-13(14)10-4-3-5-11(15)8-10/h3-9H,2,15-16H2,1H3
InChIKeyQMXZUYGAEREIBC-UHFFFAOYSA-N
XLogP2.92
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-4-ethoxyaniline?
The IUPAC name of 3-(3-aminophenyl)-4-ethoxyaniline (CID 68787828) is 3-(3-aminophenyl)-4-ethoxyaniline.
What is the SMILES notation for 3-(3-aminophenyl)-4-ethoxyaniline?
The canonical SMILES for 3-(3-aminophenyl)-4-ethoxyaniline is CCOc1ccc(N)cc1-c1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenyl)-4-ethoxyaniline?
The InChIKey is QMXZUYGAEREIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-17-14-7-6-12(16)9-13(14)10-4-3-5-11(15)8-10/h3-9H,2,15-16H2,1H3.
What are the key properties of 3-(3-aminophenyl)-4-ethoxyaniline?
3-(3-aminophenyl)-4-ethoxyaniline has a molecular weight of 228.29 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-4-ethoxyaniline is sourced from PubChem (CID 68787828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).