(2S,3R)-2-amino-4,4-dimethyl-1-phenylpentan-3-ol

C13H21NO — CID 101132105

IUPAC(2S,3R)-2-amino-4,4-dimethyl-1-phenylpentan-3-ol
SMILESCC(C)(C)[C@@H](O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C13H21NO/c1-13(2,3)12(15)11(14)9-10-7-5-4-6-8-10/h4-8,11-12,15H,9,14H2,1-3H3/t11-,12-/m0/s1
InChIKeyQFXYPSBTAOAYOA-RYUDHWBXSA-N
MW207.32 g/mol
LogP1.96
Rot. Bonds3

About (2S,3R)-2-amino-4,4-dimethyl-1-phenylpentan-3-ol

(2S,3R)-2-amino-4,4-dimethyl-1-phenylpentan-3-ol (PubChem CID 101132105) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2S,3R)-2-amino-4,4-dimethyl-1-phenylpentan-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-amino-4,4-dimethyl-1-phenylpentan-3-ol
PubChem CID101132105
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2S,3R)-2-amino-4,4-dimethyl-1-phenylpentan-3-ol
SMILESCC(C)(C)[C@@H](O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C13H21NO/c1-13(2,3)12(15)11(14)9-10-7-5-4-6-8-10/h4-8,11-12,15H,9,14H2,1-3H3/t11-,12-/m0/s1
InChIKeyQFXYPSBTAOAYOA-RYUDHWBXSA-N
XLogP1.96
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-3-amino-1,1,1-trifluoro-4-phenylbutan-2-ol
CID 28820182
(2R)-3-methyl-1-phenylbutan-2-amine
CID 11390020
(2S)-3,3-dimethyl-1-phenylbutan-2-ol
CID 12689722
3,3-dimethyl-1-phenylbutan-2-ol
CID 5051506
2-amino-4,4,5,5,6,6,6-heptafluoro-1-phenylhexan-3-ol
CID 22284216
tert-butyl (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate
CID 7021090
tert-butyl (2R)-3-amino-2-hydroxy-4-phenylbutanoate
CID 68838007
(2S,3R)-3-amino-4-phenylbutane-1,2-diol
CID 11789833
(3R,4S)-4-amino-3-hydroxy-5-phenylpentan-2-one
CID 59897360
acetic acid;tert-butyl (2S,3S)-3-amino-2-hydroxy-4-phenylbutanoate
CID 162225778
(2S,3R)-3-amino-1,1-difluoro-4-phenylbutan-2-ol
CID 97184226
(2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride
CID 139714865

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-4,4-dimethyl-1-phenylpentan-3-ol?
The IUPAC name of (2S,3R)-2-amino-4,4-dimethyl-1-phenylpentan-3-ol (CID 101132105) is (2S,3R)-2-amino-4,4-dimethyl-1-phenylpentan-3-ol.
What is the SMILES notation for (2S,3R)-2-amino-4,4-dimethyl-1-phenylpentan-3-ol?
The canonical SMILES for (2S,3R)-2-amino-4,4-dimethyl-1-phenylpentan-3-ol is CC(C)(C)[C@@H](O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S,3R)-2-amino-4,4-dimethyl-1-phenylpentan-3-ol?
The InChIKey is QFXYPSBTAOAYOA-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H21NO/c1-13(2,3)12(15)11(14)9-10-7-5-4-6-8-10/h4-8,11-12,15H,9,14H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of (2S,3R)-2-amino-4,4-dimethyl-1-phenylpentan-3-ol?
(2S,3R)-2-amino-4,4-dimethyl-1-phenylpentan-3-ol has a molecular weight of 207.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-4,4-dimethyl-1-phenylpentan-3-ol is sourced from PubChem (CID 101132105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).