(2R,3S)-1-(benzylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol

C32H36N2O — CID 164610030

IUPAC(2R,3S)-1-(benzylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol
SMILESO[C@H](CNCc1ccccc1)[C@H](Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H36N2O/c35-32(25-33-24-27-15-7-2-8-16-27)31(23-26-13-5-1-6-14-26)34-22-21-30(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30-35H,21-25H2/t31-,32+/m0/s1
InChIKeySXFRVTNEKMZFOT-AJQTZOPKSA-N
MW464.65 g/mol
LogP5.56
Rot. Bonds13

About (2R,3S)-1-(benzylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol

(2R,3S)-1-(benzylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol (PubChem CID 164610030) has the molecular formula C32H36N2O and a molecular weight of 464.65 g/mol. Its IUPAC name is (2R,3S)-1-(benzylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol.

Molecular Properties

Compound Name(2R,3S)-1-(benzylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol
PubChem CID164610030
Molecular FormulaC32H36N2O
Molecular Weight464.65 g/mol
Exact Mass464.28
IUPAC Name(2R,3S)-1-(benzylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol
SMILESO[C@H](CNCc1ccccc1)[C@H](Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H36N2O/c35-32(25-33-24-27-15-7-2-8-16-27)31(23-26-13-5-1-6-14-26)34-22-21-30(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30-35H,21-25H2/t31-,32+/m0/s1
InChIKeySXFRVTNEKMZFOT-AJQTZOPKSA-N
XLogP5.56
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.65
LogP ≤ 55.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[[(3S,6S)-6-benzhydrylpiperidin-3-yl]amino]-3-phenylpropan-2-ol
CID 16040321
(2R)-2-(benzylamino)-3-phenylpropan-1-ol
CID 10900780
(2S,4R,5R)-2-benzhydryl-5-(benzylamino)-tetrahydro-2H-pyran-4-ol
CID 11394704
(S)-1-[(3S,6S)-6-benzhydrylpiperidin-3-ylamino)-3-phenylpropan-2-ol
CID 44450675
2-(Benzylamino)-1,2-diphenylethanol
CID 222507
(3R,6R)-6-benzhydryl-4-(benzylamino)oxan-3-ol
CID 71449063
(2S,5R)-2-benzhydryl-5-(benzylamino)oxan-4-ol
CID 71449122
(3S,6S)-6-benzhydryl-4-(benzylamino)oxan-3-ol
CID 71454497
(2R,5S)-2-benzhydryl-5-(benzylamino)oxan-4-ol
CID 71461604
(2R,3S)-3-(2,2-diphenylethylamino)-4-phenyl-1-[[(1S)-1-phenylethyl]amino]butan-2-ol
CID 164609916
N-[(2S,3S)-4-[(4-tert-butylphenyl)methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide
CID 164610907
N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(3-propan-2-ylphenyl)methylamino]butan-2-yl]-2,2-diphenylacetamide
CID 164611185

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-(benzylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol?
The IUPAC name of (2R,3S)-1-(benzylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol (CID 164610030) is (2R,3S)-1-(benzylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol.
What is the SMILES notation for (2R,3S)-1-(benzylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol?
The canonical SMILES for (2R,3S)-1-(benzylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol is O[C@H](CNCc1ccccc1)[C@H](Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3S)-1-(benzylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol?
The InChIKey is SXFRVTNEKMZFOT-AJQTZOPKSA-N. The full InChI is InChI=1S/C32H36N2O/c35-32(25-33-24-27-15-7-2-8-16-27)31(23-26-13-5-1-6-14-26)34-22-21-30(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30-35H,21-25H2/t31-,32+/m0/s1.
What are the key properties of (2R,3S)-1-(benzylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol?
(2R,3S)-1-(benzylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol has a molecular weight of 464.65 g/mol, XLogP of 5.56, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-(benzylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol is sourced from PubChem (CID 164610030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).