(3S)-3-amino-3-(2-chlorophenyl)-2,2-dimethylpropan-1-ol

C11H16ClNO — CID 10330849

IUPAC(3S)-3-amino-3-(2-chlorophenyl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)[C@H](N)c1ccccc1Cl
InChIInChI=1S/C11H16ClNO/c1-11(2,7-14)10(13)8-5-3-4-6-9(8)12/h3-6,10,14H,7,13H2,1-2H3/t10-/m1/s1
InChIKeyQQMGZFCEYMAQSQ-SNVBAGLBSA-N
MW213.71 g/mol
LogP2.36
Rot. Bonds3

About (3S)-3-amino-3-(2-chlorophenyl)-2,2-dimethylpropan-1-ol

(3S)-3-amino-3-(2-chlorophenyl)-2,2-dimethylpropan-1-ol (PubChem CID 10330849) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is (3S)-3-amino-3-(2-chlorophenyl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-3-(2-chlorophenyl)-2,2-dimethylpropan-1-ol
PubChem CID10330849
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name(3S)-3-amino-3-(2-chlorophenyl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)[C@H](N)c1ccccc1Cl
InChIInChI=1S/C11H16ClNO/c1-11(2,7-14)10(13)8-5-3-4-6-9(8)12/h3-6,10,14H,7,13H2,1-2H3/t10-/m1/s1
InChIKeyQQMGZFCEYMAQSQ-SNVBAGLBSA-N
XLogP2.36
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]phenol;hydrochloride
CID 171246640
(3R)-3-amino-3-(2,6-dichlorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171245495
(3S)-3-amino-3-(2-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171239204
(3S)-3-amino-3-(5-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 131513048
3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]benzene-1,2-diol
CID 131376130
(3S)-3-amino-3-[2-(4-chlorophenyl)sulfanylphenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171244664
(3S)-3-amino-3-[2-chloro-4-(dimethylamino)phenyl]-2,2-dimethylpropan-1-ol
CID 171243846
(3R)-3-amino-3-[2-chloro-4-(dimethylamino)phenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171250576
(3S)-3-amino-2,2-dimethyl-3-(2-nitrophenyl)propan-1-ol
CID 171245634
(3S)-3-amino-3-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171244642
(3R)-3-amino-2,2-dimethyl-3-(2-phenylmethoxyphenyl)propan-1-ol
CID 171251128
(3S)-3-amino-3-(2-amino-5-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 171251102

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(2-chlorophenyl)-2,2-dimethylpropan-1-ol?
The IUPAC name of (3S)-3-amino-3-(2-chlorophenyl)-2,2-dimethylpropan-1-ol (CID 10330849) is (3S)-3-amino-3-(2-chlorophenyl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for (3S)-3-amino-3-(2-chlorophenyl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for (3S)-3-amino-3-(2-chlorophenyl)-2,2-dimethylpropan-1-ol is CC(C)(CO)[C@H](N)c1ccccc1Cl.
What is the InChIKey of (3S)-3-amino-3-(2-chlorophenyl)-2,2-dimethylpropan-1-ol?
The InChIKey is QQMGZFCEYMAQSQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-11(2,7-14)10(13)8-5-3-4-6-9(8)12/h3-6,10,14H,7,13H2,1-2H3/t10-/m1/s1.
What are the key properties of (3S)-3-amino-3-(2-chlorophenyl)-2,2-dimethylpropan-1-ol?
(3S)-3-amino-3-(2-chlorophenyl)-2,2-dimethylpropan-1-ol has a molecular weight of 213.71 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(2-chlorophenyl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 10330849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).