(2S,3S)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol

C13H21NO — CID 124833939

IUPAC(2S,3S)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol
SMILESC[C@H](Cc1ccccc1)N[C@@H](C)[C@H](C)O
InChIInChI=1S/C13H21NO/c1-10(14-11(2)12(3)15)9-13-7-5-4-6-8-13/h4-8,10-12,14-15H,9H2,1-3H3/t10-,11+,12+/m1/s1
InChIKeyLPHUYFUEIFVZNO-WOPDTQHZSA-N
MW207.32 g/mol
LogP1.98
Rot. Bonds5

About (2S,3S)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol

(2S,3S)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol (PubChem CID 124833939) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2S,3S)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol
PubChem CID124833939
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2S,3S)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol
SMILESC[C@H](Cc1ccccc1)N[C@@H](C)[C@H](C)O
InChIInChI=1S/C13H21NO/c1-10(14-11(2)12(3)15)9-13-7-5-4-6-8-13/h4-8,10-12,14-15H,9H2,1-3H3/t10-,11+,12+/m1/s1
InChIKeyLPHUYFUEIFVZNO-WOPDTQHZSA-N
XLogP1.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol
CID 124512374
2-methyl-3-(1-phenylpropan-2-ylamino)butanoic acid
CID 79398614
methoxy-[[(2S)-1-phenylpropan-2-yl]amino]methanol
CID 156733135
(1-phenylpropan-2-ylamino)methanol
CID 54463712
(2S)-3-phenyl-2-(1-phenylpropan-2-ylamino)propan-1-ol
CID 107862363
N-(1-phenylpropan-2-yl)thiohydroxylamine
CID 23498394
(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
3-fluoro-4-phenylbutan-2-ol
CID 105433789
(2S)-2-phenyl-2-(1-phenylpropan-2-ylamino)ethanol
CID 107862161
N-methyl-1-phenylpropan-2-amine
CID 118309477
1-ethoxy-1-phenyl-N-(1-phenylpropan-2-yl)propan-2-amine
CID 110176857
N-methyl-2-(1-phenylpropan-2-ylamino)propanamide
CID 63010546

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol?
The IUPAC name of (2S,3S)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol (CID 124833939) is (2S,3S)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol.
What is the SMILES notation for (2S,3S)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol?
The canonical SMILES for (2S,3S)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol is C[C@H](Cc1ccccc1)N[C@@H](C)[C@H](C)O.
What is the InChIKey of (2S,3S)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol?
The InChIKey is LPHUYFUEIFVZNO-WOPDTQHZSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(14-11(2)12(3)15)9-13-7-5-4-6-8-13/h4-8,10-12,14-15H,9H2,1-3H3/t10-,11+,12+/m1/s1.
What are the key properties of (2S,3S)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol?
(2S,3S)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol is sourced from PubChem (CID 124833939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).