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

C9H13NO2 — CID 55292695

IUPAC2-[(1R,2S)-1-amino-2-hydroxypropyl]phenol
SMILESC[C@H](O)[C@H](N)c1ccccc1O
InChIInChI=1S/C9H13NO2/c1-6(11)9(10)7-4-2-3-5-8(7)12/h2-6,9,11-12H,10H2,1H3/t6-,9-/m0/s1
InChIKeyJXKFVSLCCUBGIK-RCOVLWMOSA-N
MW167.21 g/mol
LogP0.77
Rot. Bonds2

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

2-[(1R,2S)-1-amino-2-hydroxypropyl]phenol (PubChem CID 55292695) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-[(1R,2S)-1-amino-2-hydroxypropyl]phenol.

Molecular Properties

Compound Name2-[(1R,2S)-1-amino-2-hydroxypropyl]phenol
PubChem CID55292695
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name2-[(1R,2S)-1-amino-2-hydroxypropyl]phenol
SMILESC[C@H](O)[C@H](N)c1ccccc1O
InChIInChI=1S/C9H13NO2/c1-6(11)9(10)7-4-2-3-5-8(7)12/h2-6,9,11-12H,10H2,1H3/t6-,9-/m0/s1
InChIKeyJXKFVSLCCUBGIK-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

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-1-amino-2-methylpropyl]phenol
CID 14939349
3-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,2-diol;hydrochloride
CID 171261358
3-[(1R,2R)-1-amino-2-hydroxypropyl]-2-methylphenol
CID 130792014
(1S,2R)-1-amino-1-[2-(difluoromethyl)phenyl]propan-2-ol
CID 130613465
(1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol
CID 131030004
(1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride
CID 171160087
2-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,4-diol
CID 130731355
(1S,2R)-1-amino-1-(2-iodophenyl)propan-2-ol;hydrochloride
CID 171269903
2-[(1S,2R)-1-amino-2-hydroxy-4-methylpentyl]phenol;hydrochloride
CID 171162441
3-[(1S,2R)-1-amino-2-hydroxypropyl]-2-methoxyphenol
CID 130664696
3-[(1S,2S)-1-amino-2-hydroxypropyl]-2-ethylphenol
CID 55269125
(1S)-1-amino-1-(2-ethenylphenyl)propan-2-ol
CID 130989539

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-1-amino-2-hydroxypropyl]phenol?
The IUPAC name of 2-[(1R,2S)-1-amino-2-hydroxypropyl]phenol (CID 55292695) is 2-[(1R,2S)-1-amino-2-hydroxypropyl]phenol.
What is the SMILES notation for 2-[(1R,2S)-1-amino-2-hydroxypropyl]phenol?
The canonical SMILES for 2-[(1R,2S)-1-amino-2-hydroxypropyl]phenol is C[C@H](O)[C@H](N)c1ccccc1O.
What is the InChIKey of 2-[(1R,2S)-1-amino-2-hydroxypropyl]phenol?
The InChIKey is JXKFVSLCCUBGIK-RCOVLWMOSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6(11)9(10)7-4-2-3-5-8(7)12/h2-6,9,11-12H,10H2,1H3/t6-,9-/m0/s1.
What are the key properties of 2-[(1R,2S)-1-amino-2-hydroxypropyl]phenol?
2-[(1R,2S)-1-amino-2-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 2-[(1R,2S)-1-amino-2-hydroxypropyl]phenol is sourced from PubChem (CID 55292695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).