2-[(1S)-1-aminopropyl]phenol

C9H13NO — CID 30046311

IUPAC2-[(1S)-1-aminopropyl]phenol
SMILESCC[C@H](N)c1ccccc1O
InChIInChI=1S/C9H13NO/c1-2-8(10)7-5-3-4-6-9(7)11/h3-6,8,11H,2,10H2,1H3/t8-/m0/s1
InChIKeySJYRIEHMQRIBEN-QMMMGPOBSA-N
MW151.21 g/mol
LogP1.80
Rot. Bonds2

About 2-[(1S)-1-aminopropyl]phenol

2-[(1S)-1-aminopropyl]phenol (PubChem CID 30046311) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-[(1S)-1-aminopropyl]phenol.

Molecular Properties

Compound Name2-[(1S)-1-aminopropyl]phenol
PubChem CID30046311
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-[(1S)-1-aminopropyl]phenol
SMILESCC[C@H](N)c1ccccc1O
InChIInChI=1S/C9H13NO/c1-2-8(10)7-5-3-4-6-9(7)11/h3-6,8,11H,2,10H2,1H3/t8-/m0/s1
InChIKeySJYRIEHMQRIBEN-QMMMGPOBSA-N
XLogP1.80
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[(1S)-1-aminopropyl]phenol 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 2-[(1S)-1-aminopropyl]phenol?
The IUPAC name of 2-[(1S)-1-aminopropyl]phenol (CID 30046311) is 2-[(1S)-1-aminopropyl]phenol.
What is the SMILES notation for 2-[(1S)-1-aminopropyl]phenol?
The canonical SMILES for 2-[(1S)-1-aminopropyl]phenol is CC[C@H](N)c1ccccc1O.
What is the InChIKey of 2-[(1S)-1-aminopropyl]phenol?
The InChIKey is SJYRIEHMQRIBEN-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-8(10)7-5-3-4-6-9(7)11/h3-6,8,11H,2,10H2,1H3/t8-/m0/s1.
What are the key properties of 2-[(1S)-1-aminopropyl]phenol?
2-[(1S)-1-aminopropyl]phenol has a molecular weight of 151.21 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminopropyl]phenol is sourced from PubChem (CID 30046311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).