3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol

C9H13NO2 — CID 5906

IUPAC3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol
SMILESC[C@H](N)[C@H](O)c1cccc(O)c1
InChIInChI=1S/C9H13NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,9,11-12H,10H2,1H3/t6-,9-/m0/s1
InChIKeyWXFIGDLSSYIKKV-RCOVLWMOSA-N
MW167.21 g/mol
LogP0.77
Rot. Bonds2

About 3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol

3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol (PubChem CID 5906) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol.

Molecular Properties

Compound Name3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol
PubChem CID5906
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol
SMILESC[C@H](N)[C@H](O)c1cccc(O)c1
InChIInChI=1S/C9H13NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,9,11-12H,10H2,1H3/t6-,9-/m0/s1
InChIKeyWXFIGDLSSYIKKV-RCOVLWMOSA-N
XLogP0.77
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(1R,2S)-2-amino-1-hydroxypropyl]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

Norepinephrine
CID 439260
Phenylephrine
CID 6041
Octopamine
CID 4581
Synephrine
CID 7172
Phenylpropanolamine
CID 10297
Methoxamine
CID 6082
Metaproterenol
CID 4086
Etilefrine
CID 3306
Isoetharine
CID 3762
m-Tyramine
CID 11492
Hydroxyamfetamine
CID 3651
Cathine
CID 441457

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol?
The IUPAC name of 3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol (CID 5906) is 3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol.
What is the SMILES notation for 3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol?
The canonical SMILES for 3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol is C[C@H](N)[C@H](O)c1cccc(O)c1.
What is the InChIKey of 3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol?
The InChIKey is WXFIGDLSSYIKKV-RCOVLWMOSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,9,11-12H,10H2,1H3/t6-,9-/m0/s1.
What are the key properties of 3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol?
3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol has a molecular weight of 167.21 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol is sourced from PubChem (CID 5906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).