(1S)-1-(4-aminophenyl)ethanol

C8H11NO — CID 6951270

IUPAC(1S)-1-(4-aminophenyl)ethanol
SMILESC[C@H](O)c1ccc(N)cc1
InChIInChI=1S/C8H11NO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,9H2,1H3/t6-/m0/s1
InChIKeyJDEYBJHOTWGYFE-LURJTMIESA-N
MW137.18 g/mol
LogP1.32
Rot. Bonds1

About (1S)-1-(4-aminophenyl)ethanol

(1S)-1-(4-aminophenyl)ethanol (PubChem CID 6951270) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (1S)-1-(4-aminophenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(4-aminophenyl)ethanol
PubChem CID6951270
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(1S)-1-(4-aminophenyl)ethanol
SMILESC[C@H](O)c1ccc(N)cc1
InChIInChI=1S/C8H11NO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,9H2,1H3/t6-/m0/s1
InChIKeyJDEYBJHOTWGYFE-LURJTMIESA-N
XLogP1.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S)-1-(4-aminophenyl)ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-aminophenyl)ethanol?
The IUPAC name of (1S)-1-(4-aminophenyl)ethanol (CID 6951270) is (1S)-1-(4-aminophenyl)ethanol.
What is the SMILES notation for (1S)-1-(4-aminophenyl)ethanol?
The canonical SMILES for (1S)-1-(4-aminophenyl)ethanol is C[C@H](O)c1ccc(N)cc1.
What is the InChIKey of (1S)-1-(4-aminophenyl)ethanol?
The InChIKey is JDEYBJHOTWGYFE-LURJTMIESA-N. The full InChI is InChI=1S/C8H11NO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,9H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-(4-aminophenyl)ethanol?
(1S)-1-(4-aminophenyl)ethanol has a molecular weight of 137.18 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-aminophenyl)ethanol is sourced from PubChem (CID 6951270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).