4-[(E)-3-aminoprop-1-enyl]phenol

C9H11NO — CID 15579983

IUPAC4-[(E)-3-aminoprop-1-enyl]phenol
SMILESNC/C=C/c1ccc(O)cc1
InChIInChI=1S/C9H11NO/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6,11H,7,10H2/b2-1+
InChIKeyPYUVQTNSFBXSCW-OWOJBTEDSA-N
MW149.19 g/mol
LogP1.36
Rot. Bonds2

About 4-[(E)-3-aminoprop-1-enyl]phenol

4-[(E)-3-aminoprop-1-enyl]phenol (PubChem CID 15579983) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 4-[(E)-3-aminoprop-1-enyl]phenol.

Molecular Properties

Compound Name4-[(E)-3-aminoprop-1-enyl]phenol
PubChem CID15579983
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name4-[(E)-3-aminoprop-1-enyl]phenol
SMILESNC/C=C/c1ccc(O)cc1
InChIInChI=1S/C9H11NO/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6,11H,7,10H2/b2-1+
InChIKeyPYUVQTNSFBXSCW-OWOJBTEDSA-N
XLogP1.36
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(E)-3-aminoprop-1-enyl]phenol 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

P-Cresol
CID 2879
Tyramine
CID 5610
Octopamine
CID 4581
4-Ethylphenol
CID 31242
Hydroxyamfetamine
CID 3651
m-Tyramine
CID 11492
N-Methyltyramine
CID 9727
4-Propylphenol
CID 12580
Octopamine Hydrochloride
CID 102484
Hydroxyamphetamine Hydrobromide
CID 9377
(R)-Octopamine
CID 440266
4-Vinylphenol
CID 62453

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-aminoprop-1-enyl]phenol?
The IUPAC name of 4-[(E)-3-aminoprop-1-enyl]phenol (CID 15579983) is 4-[(E)-3-aminoprop-1-enyl]phenol.
What is the SMILES notation for 4-[(E)-3-aminoprop-1-enyl]phenol?
The canonical SMILES for 4-[(E)-3-aminoprop-1-enyl]phenol is NC/C=C/c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-3-aminoprop-1-enyl]phenol?
The InChIKey is PYUVQTNSFBXSCW-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H11NO/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6,11H,7,10H2/b2-1+.
What are the key properties of 4-[(E)-3-aminoprop-1-enyl]phenol?
4-[(E)-3-aminoprop-1-enyl]phenol has a molecular weight of 149.19 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-aminoprop-1-enyl]phenol is sourced from PubChem (CID 15579983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).