(2R,3R)-3-(methylamino)-2-phenylbutan-2-ol

C11H17NO — CID 89263226

IUPAC(2R,3R)-3-(methylamino)-2-phenylbutan-2-ol
SMILESCN[C@H](C)[C@](C)(O)c1ccccc1
InChIInChI=1S/C11H17NO/c1-9(12-3)11(2,13)10-7-5-4-6-8-10/h4-9,12-13H,1-3H3/t9-,11+/m1/s1
InChIKeySIBUOXVRODUTKZ-KOLCDFICSA-N
MW179.26 g/mol
LogP1.50
Rot. Bonds3

About (2R,3R)-3-(methylamino)-2-phenylbutan-2-ol

(2R,3R)-3-(methylamino)-2-phenylbutan-2-ol (PubChem CID 89263226) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (2R,3R)-3-(methylamino)-2-phenylbutan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-(methylamino)-2-phenylbutan-2-ol
PubChem CID89263226
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(2R,3R)-3-(methylamino)-2-phenylbutan-2-ol
SMILESCN[C@H](C)[C@](C)(O)c1ccccc1
InChIInChI=1S/C11H17NO/c1-9(12-3)11(2,13)10-7-5-4-6-8-10/h4-9,12-13H,1-3H3/t9-,11+/m1/s1
InChIKeySIBUOXVRODUTKZ-KOLCDFICSA-N
XLogP1.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-3-(propan-2-ylamino)butan-2-ol;hydrochloride
CID 117068774
(2R,3S)-1,1,1-trifluoro-3-(methylamino)-2-phenylbutan-2-ol
CID 134960749
3-methyl-2-phenylpentan-2-ol
CID 13024634
3-hydroxy-2-methyl-3-phenylbutanal
CID 140584728
(3R)-3-(methylamino)-1,1-diphenylbutan-1-ol
CID 129362138
(E,2S,3S)-3-methyl-2-phenylhex-4-en-2-ol
CID 10583846
(2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol
CID 14962367
(4R,5R)-5-hydroxy-4-methyl-5-phenylhexan-3-one
CID 13299690
N,2,4-trimethyl-2-phenylpentan-3-amine
CID 21032330
methylamino(phenyl)methanediol
CID 89244016
(2R)-N,4-dimethyl-4-phenylpentan-2-amine
CID 42077724
2-fluoro-3-hydroxy-3-phenylbutanoic acid
CID 79367352

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(methylamino)-2-phenylbutan-2-ol?
The IUPAC name of (2R,3R)-3-(methylamino)-2-phenylbutan-2-ol (CID 89263226) is (2R,3R)-3-(methylamino)-2-phenylbutan-2-ol.
What is the SMILES notation for (2R,3R)-3-(methylamino)-2-phenylbutan-2-ol?
The canonical SMILES for (2R,3R)-3-(methylamino)-2-phenylbutan-2-ol is CN[C@H](C)[C@](C)(O)c1ccccc1.
What is the InChIKey of (2R,3R)-3-(methylamino)-2-phenylbutan-2-ol?
The InChIKey is SIBUOXVRODUTKZ-KOLCDFICSA-N. The full InChI is InChI=1S/C11H17NO/c1-9(12-3)11(2,13)10-7-5-4-6-8-10/h4-9,12-13H,1-3H3/t9-,11+/m1/s1.
What are the key properties of (2R,3R)-3-(methylamino)-2-phenylbutan-2-ol?
(2R,3R)-3-(methylamino)-2-phenylbutan-2-ol has a molecular weight of 179.26 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(methylamino)-2-phenylbutan-2-ol is sourced from PubChem (CID 89263226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).