(1R,2R)-1-amino-1-[2-(hydroxymethyl)phenyl]propan-2-ol

C10H15NO2 — CID 131209275

IUPAC(1R,2R)-1-amino-1-[2-(hydroxymethyl)phenyl]propan-2-ol
SMILESC[C@@H](O)[C@H](N)c1ccccc1CO
InChIInChI=1S/C10H15NO2/c1-7(13)10(11)9-5-3-2-4-8(9)6-12/h2-5,7,10,12-13H,6,11H2,1H3/t7-,10+/m1/s1
InChIKeyWSILAIRADKCLCT-XCBNKYQSSA-N
MW181.23 g/mol
LogP0.56
Rot. Bonds3

About (1R,2R)-1-amino-1-[2-(hydroxymethyl)phenyl]propan-2-ol

(1R,2R)-1-amino-1-[2-(hydroxymethyl)phenyl]propan-2-ol (PubChem CID 131209275) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (1R,2R)-1-amino-1-[2-(hydroxymethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-amino-1-[2-(hydroxymethyl)phenyl]propan-2-ol
PubChem CID131209275
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(1R,2R)-1-amino-1-[2-(hydroxymethyl)phenyl]propan-2-ol
SMILESC[C@@H](O)[C@H](N)c1ccccc1CO
InChIInChI=1S/C10H15NO2/c1-7(13)10(11)9-5-3-2-4-8(9)6-12/h2-5,7,10,12-13H,6,11H2,1H3/t7-,10+/m1/s1
InChIKeyWSILAIRADKCLCT-XCBNKYQSSA-N
XLogP0.56
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(1S)-1-aminoethyl]phenyl]methanol;hydrochloride
CID 162422631
2-[2-[(1R,2R)-1-amino-2-hydroxypropyl]phenyl]acetonitrile
CID 130639969
2-[(1R,2S)-1-amino-2-hydroxypropyl]phenol
CID 55292695
(1S,2S)-1-amino-1-[5-bromo-2-(hydroxymethyl)phenyl]propan-2-ol
CID 130632072
(1S,2R)-1-amino-1-[2-(difluoromethyl)phenyl]propan-2-ol
CID 130613465
1-amino-1-[2-(hydroxymethyl)-6-methylphenyl]propan-2-ol
CID 130041488
(1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride
CID 171160087
(1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol
CID 131030004
(1R,2S)-1-amino-1-[3-fluoro-2-(hydroxymethyl)phenyl]propan-2-ol
CID 130657386
(1S,2R)-1-amino-1-(2-iodophenyl)propan-2-ol;hydrochloride
CID 171269903
[2-[(2S)-2-aminopropyl]phenyl]methanol
CID 130643067
(1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 131376163

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-amino-1-[2-(hydroxymethyl)phenyl]propan-2-ol?
The IUPAC name of (1R,2R)-1-amino-1-[2-(hydroxymethyl)phenyl]propan-2-ol (CID 131209275) is (1R,2R)-1-amino-1-[2-(hydroxymethyl)phenyl]propan-2-ol.
What is the SMILES notation for (1R,2R)-1-amino-1-[2-(hydroxymethyl)phenyl]propan-2-ol?
The canonical SMILES for (1R,2R)-1-amino-1-[2-(hydroxymethyl)phenyl]propan-2-ol is C[C@@H](O)[C@H](N)c1ccccc1CO.
What is the InChIKey of (1R,2R)-1-amino-1-[2-(hydroxymethyl)phenyl]propan-2-ol?
The InChIKey is WSILAIRADKCLCT-XCBNKYQSSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7(13)10(11)9-5-3-2-4-8(9)6-12/h2-5,7,10,12-13H,6,11H2,1H3/t7-,10+/m1/s1.
What are the key properties of (1R,2R)-1-amino-1-[2-(hydroxymethyl)phenyl]propan-2-ol?
(1R,2R)-1-amino-1-[2-(hydroxymethyl)phenyl]propan-2-ol has a molecular weight of 181.23 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-amino-1-[2-(hydroxymethyl)phenyl]propan-2-ol is sourced from PubChem (CID 131209275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).