(3S)-3-amino-3-phenylpropan-1-ol

C9H13NO — CID 2734520

IUPAC(3S)-3-amino-3-phenylpropan-1-ol
SMILESN[C@@H](CCO)c1ccccc1
InChIInChI=1S/C9H13NO/c10-9(6-7-11)8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1
InChIKeySEQXIQNPMQTBGN-VIFPVBQESA-N
MW151.21 g/mol
LogP1.07
Rot. Bonds3

About (3S)-3-amino-3-phenylpropan-1-ol

(3S)-3-amino-3-phenylpropan-1-ol (PubChem CID 2734520) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (3S)-3-amino-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-3-phenylpropan-1-ol
PubChem CID2734520
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(3S)-3-amino-3-phenylpropan-1-ol
SMILESN[C@@H](CCO)c1ccccc1
InChIInChI=1S/C9H13NO/c10-9(6-7-11)8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1
InChIKeySEQXIQNPMQTBGN-VIFPVBQESA-N
XLogP1.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-3-amino-3-phenylpropan-1-ol 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 (3S)-3-amino-3-phenylpropan-1-ol?
The IUPAC name of (3S)-3-amino-3-phenylpropan-1-ol (CID 2734520) is (3S)-3-amino-3-phenylpropan-1-ol.
What is the SMILES notation for (3S)-3-amino-3-phenylpropan-1-ol?
The canonical SMILES for (3S)-3-amino-3-phenylpropan-1-ol is N[C@@H](CCO)c1ccccc1.
What is the InChIKey of (3S)-3-amino-3-phenylpropan-1-ol?
The InChIKey is SEQXIQNPMQTBGN-VIFPVBQESA-N. The full InChI is InChI=1S/C9H13NO/c10-9(6-7-11)8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1.
What are the key properties of (3S)-3-amino-3-phenylpropan-1-ol?
(3S)-3-amino-3-phenylpropan-1-ol has a molecular weight of 151.21 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-phenylpropan-1-ol is sourced from PubChem (CID 2734520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).