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

C10H15NO2 — CID 130792014

IUPAC3-[(1R,2R)-1-amino-2-hydroxypropyl]-2-methylphenol
SMILESCc1c(O)cccc1[C@@H](N)[C@@H](C)O
InChIInChI=1S/C10H15NO2/c1-6-8(10(11)7(2)12)4-3-5-9(6)13/h3-5,7,10,12-13H,11H2,1-2H3/t7-,10+/m1/s1
InChIKeyGJVLAVGYPRDBNQ-XCBNKYQSSA-N
MW181.23 g/mol
LogP1.08
Rot. Bonds2

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

3-[(1R,2R)-1-amino-2-hydroxypropyl]-2-methylphenol (PubChem CID 130792014) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-[(1R,2R)-1-amino-2-hydroxypropyl]-2-methylphenol.

Molecular Properties

Compound Name3-[(1R,2R)-1-amino-2-hydroxypropyl]-2-methylphenol
PubChem CID130792014
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-[(1R,2R)-1-amino-2-hydroxypropyl]-2-methylphenol
SMILESCc1c(O)cccc1[C@@H](N)[C@@H](C)O
InChIInChI=1S/C10H15NO2/c1-6-8(10(11)7(2)12)4-3-5-9(6)13/h3-5,7,10,12-13H,11H2,1-2H3/t7-,10+/m1/s1
InChIKeyGJVLAVGYPRDBNQ-XCBNKYQSSA-N
XLogP1.08
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R,2S)-1-amino-2-hydroxypropyl]phenol
CID 55292695
3-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,2-diol;hydrochloride
CID 171261358
2-[(1R,2R)-1-amino-2-hydroxypropyl]-6-methylphenol
CID 131181882
3-[(1S,2S)-1-amino-2-hydroxypropyl]-2-ethylphenol
CID 55269125
3-[(1S,2R)-1-amino-2-hydroxypropyl]-2-methoxyphenol
CID 130664696
(1S)-1-amino-1-(2-fluoro-3-methylphenyl)propan-2-ol
CID 131081645
(1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride
CID 171160087
(1S,2S)-1-amino-1-(2,3-diaminophenyl)propan-2-ol
CID 55294728
(1S,2R)-1-amino-1-[2-(difluoromethyl)phenyl]propan-2-ol
CID 130613465
2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methylphenol
CID 55293346
1-amino-1-(2,3-difluorophenyl)propan-2-ol
CID 55273515
2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,5-dimethylphenol
CID 130749871

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2R)-1-amino-2-hydroxypropyl]-2-methylphenol?
The IUPAC name of 3-[(1R,2R)-1-amino-2-hydroxypropyl]-2-methylphenol (CID 130792014) is 3-[(1R,2R)-1-amino-2-hydroxypropyl]-2-methylphenol.
What is the SMILES notation for 3-[(1R,2R)-1-amino-2-hydroxypropyl]-2-methylphenol?
The canonical SMILES for 3-[(1R,2R)-1-amino-2-hydroxypropyl]-2-methylphenol is Cc1c(O)cccc1[C@@H](N)[C@@H](C)O.
What is the InChIKey of 3-[(1R,2R)-1-amino-2-hydroxypropyl]-2-methylphenol?
The InChIKey is GJVLAVGYPRDBNQ-XCBNKYQSSA-N. The full InChI is InChI=1S/C10H15NO2/c1-6-8(10(11)7(2)12)4-3-5-9(6)13/h3-5,7,10,12-13H,11H2,1-2H3/t7-,10+/m1/s1.
What are the key properties of 3-[(1R,2R)-1-amino-2-hydroxypropyl]-2-methylphenol?
3-[(1R,2R)-1-amino-2-hydroxypropyl]-2-methylphenol has a molecular weight of 181.23 g/mol, XLogP of 1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2R)-1-amino-2-hydroxypropyl]-2-methylphenol is sourced from PubChem (CID 130792014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).