4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-chlorophenol

C11H16ClNO2 — CID 131387812

IUPAC4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-chlorophenol
SMILESCC(C)(CO)[C@H](N)c1ccc(O)c(Cl)c1
InChIInChI=1S/C11H16ClNO2/c1-11(2,6-14)10(13)7-3-4-9(15)8(12)5-7/h3-5,10,14-15H,6,13H2,1-2H3/t10-/m1/s1
InChIKeyHOWOXWUBZYWPIB-SNVBAGLBSA-N
MW229.71 g/mol
LogP2.06
Rot. Bonds3

About 4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-chlorophenol

4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-chlorophenol (PubChem CID 131387812) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-chlorophenol.

Molecular Properties

Compound Name4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-chlorophenol
PubChem CID131387812
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-chlorophenol
SMILESCC(C)(CO)[C@H](N)c1ccc(O)c(Cl)c1
InChIInChI=1S/C11H16ClNO2/c1-11(2,6-14)10(13)7-3-4-9(15)8(12)5-7/h3-5,10,14-15H,6,13H2,1-2H3/t10-/m1/s1
InChIKeyHOWOXWUBZYWPIB-SNVBAGLBSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-3-(3-chloro-4-methylphenyl)-2,2-dimethylpropan-1-ol
CID 131397934
4-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-fluorophenol
CID 131542060
4-[(1S)-1-amino-2-hydroxyethyl]-2-chlorophenol
CID 55277962
4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-methoxyphenol;hydrochloride
CID 171240681
(3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol
CID 171242218
(3S)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171248946
(3R)-3-amino-3-(3,5-dichlorophenyl)-2,2-dimethylpropan-1-ol
CID 131396220
4-[(1R)-1-amino-3-hydroxypropyl]-2-chlorophenol
CID 130691653
2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3,5-dichlorophenol
CID 131582381
(3R)-3-amino-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-ol
CID 131494275
(3S)-3-amino-2,2-dimethyl-3-(2,3,6-trichlorophenyl)propan-1-ol;hydrochloride
CID 171243899
4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dimethylphenol
CID 131427430

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-chlorophenol?
The IUPAC name of 4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-chlorophenol (CID 131387812) is 4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-chlorophenol.
What is the SMILES notation for 4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-chlorophenol?
The canonical SMILES for 4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-chlorophenol is CC(C)(CO)[C@H](N)c1ccc(O)c(Cl)c1.
What is the InChIKey of 4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-chlorophenol?
The InChIKey is HOWOXWUBZYWPIB-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-11(2,6-14)10(13)7-3-4-9(15)8(12)5-7/h3-5,10,14-15H,6,13H2,1-2H3/t10-/m1/s1.
What are the key properties of 4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-chlorophenol?
4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-chlorophenol has a molecular weight of 229.71 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-chlorophenol is sourced from PubChem (CID 131387812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).