4-(1-ethoxyethenyl)aniline

C10H13NO — CID 90447713

IUPAC4-(1-ethoxyethenyl)aniline
SMILESC=C(OCC)c1ccc(N)cc1
InChIInChI=1S/C10H13NO/c1-3-12-8(2)9-4-6-10(11)7-5-9/h4-7H,2-3,11H2,1H3
InChIKeyQUPOUVMNLRXHCY-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.28
Rot. Bonds3

About 4-(1-ethoxyethenyl)aniline

4-(1-ethoxyethenyl)aniline (PubChem CID 90447713) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-(1-ethoxyethenyl)aniline.

Molecular Properties

Compound Name4-(1-ethoxyethenyl)aniline
PubChem CID90447713
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name4-(1-ethoxyethenyl)aniline
SMILESC=C(OCC)c1ccc(N)cc1
InChIInChI=1S/C10H13NO/c1-3-12-8(2)9-4-6-10(11)7-5-9/h4-7H,2-3,11H2,1H3
InChIKeyQUPOUVMNLRXHCY-UHFFFAOYSA-N
XLogP2.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(1-ethoxyethenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-methoxyethenyl)aniline
CID 67566303
4-(1-ethoxyethenyl)benzaldehyde
CID 86025539
1-(1-ethoxyethenyl)-4-(2-methylpropyl)benzene
CID 146686998
ethyl 4-aminobenzoate
CID 2337
1-[4-(1-ethoxyethenyl)phenyl]-N-methylethanamine
CID 165469702
4-(1-ethoxyethenyl)-2-methylbenzaldehyde
CID 165464343
3-(1-ethoxyethenyl)-5-fluoroaniline
CID 165464501
butane;ethyl 4-aminobenzoate
CID 67389405
3-(1-ethoxyethenyl)furan
CID 19047584
4-aminobenzoic acid;ethyl carbamate
CID 174892580
methyl 4-(1-ethoxyethenyl)-2-methylbenzoate
CID 126751882
5-(1-ethoxyethenyl)-1,3-dihydro-2-benzoborole-2-carbonitrile
CID 143117457

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxyethenyl)aniline?
The IUPAC name of 4-(1-ethoxyethenyl)aniline (CID 90447713) is 4-(1-ethoxyethenyl)aniline.
What is the SMILES notation for 4-(1-ethoxyethenyl)aniline?
The canonical SMILES for 4-(1-ethoxyethenyl)aniline is C=C(OCC)c1ccc(N)cc1.
What is the InChIKey of 4-(1-ethoxyethenyl)aniline?
The InChIKey is QUPOUVMNLRXHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-12-8(2)9-4-6-10(11)7-5-9/h4-7H,2-3,11H2,1H3.
What are the key properties of 4-(1-ethoxyethenyl)aniline?
4-(1-ethoxyethenyl)aniline has a molecular weight of 163.22 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxyethenyl)aniline is sourced from PubChem (CID 90447713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).