2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]phenol;hydrochloride

C11H18ClNO2 — CID 171246640

IUPAC2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]phenol;hydrochloride
SMILESCC(C)(CO)[C@@H](N)c1ccccc1O.Cl
InChIInChI=1S/C11H17NO2.ClH/c1-11(2,7-13)10(12)8-5-3-4-6-9(8)14;/h3-6,10,13-14H,7,12H2,1-2H3;1H/t10-;/m0./s1
InChIKeyKWQBOYATGNLSHU-PPHPATTJSA-N
MW231.72 g/mol
LogP1.83
Rot. Bonds3

About 2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]phenol;hydrochloride

2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]phenol;hydrochloride (PubChem CID 171246640) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is 2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]phenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]phenol;hydrochloride
PubChem CID171246640
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC Name2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]phenol;hydrochloride
SMILESCC(C)(CO)[C@@H](N)c1ccccc1O.Cl
InChIInChI=1S/C11H17NO2.ClH/c1-11(2,7-13)10(12)8-5-3-4-6-9(8)14;/h3-6,10,13-14H,7,12H2,1-2H3;1H/t10-;/m0./s1
InChIKeyKWQBOYATGNLSHU-PPHPATTJSA-N
XLogP1.83
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 51.83
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

3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]benzene-1,2-diol
CID 131376130
(3S)-3-amino-3-(2-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171239204
4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]benzene-1,3-diol;hydrochloride
CID 171246317
(3S)-3-amino-3-(2-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 10330849
2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-fluorophenol;hydrochloride
CID 171245849
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-fluorophenol;hydrochloride
CID 171239147
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-ethylphenol
CID 171253883
3-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-hydroxybenzonitrile;hydrochloride
CID 171254104
3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-hydroxybenzonitrile;hydrochloride
CID 171259257
(3S)-3-amino-3-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171241172
(3S)-3-amino-2,2-dimethyl-3-(2-nitrophenyl)propan-1-ol
CID 171245634
(3R)-3-amino-3-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171247890

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]phenol;hydrochloride?
The IUPAC name of 2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]phenol;hydrochloride (CID 171246640) is 2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]phenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]phenol;hydrochloride?
The canonical SMILES for 2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]phenol;hydrochloride is CC(C)(CO)[C@@H](N)c1ccccc1O.Cl.
What is the InChIKey of 2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]phenol;hydrochloride?
The InChIKey is KWQBOYATGNLSHU-PPHPATTJSA-N. The full InChI is InChI=1S/C11H17NO2.ClH/c1-11(2,7-13)10(12)8-5-3-4-6-9(8)14;/h3-6,10,13-14H,7,12H2,1-2H3;1H/t10-;/m0./s1.
What are the key properties of 2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]phenol;hydrochloride?
2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]phenol;hydrochloride has a molecular weight of 231.72 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]phenol;hydrochloride is sourced from PubChem (CID 171246640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).