(2S,3S)-3-(benzhydrylamino)-5-phenylpentane-1,2-diol

C24H27NO2 — CID 10981294

IUPAC(2S,3S)-3-(benzhydrylamino)-5-phenylpentane-1,2-diol
SMILESOC[C@@H](O)[C@H](CCc1ccccc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27NO2/c26-18-23(27)22(17-16-19-10-4-1-5-11-19)25-24(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-27H,16-18H2/t22-,23+/m0/s1
InChIKeyRBHOACOVQJNCQX-XZOQPEGZSA-N
MW361.49 g/mol
LogP3.72
Rot. Bonds9

About (2S,3S)-3-(benzhydrylamino)-5-phenylpentane-1,2-diol

(2S,3S)-3-(benzhydrylamino)-5-phenylpentane-1,2-diol (PubChem CID 10981294) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is (2S,3S)-3-(benzhydrylamino)-5-phenylpentane-1,2-diol.

Molecular Properties

Compound Name(2S,3S)-3-(benzhydrylamino)-5-phenylpentane-1,2-diol
PubChem CID10981294
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name(2S,3S)-3-(benzhydrylamino)-5-phenylpentane-1,2-diol
SMILESOC[C@@H](O)[C@H](CCc1ccccc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27NO2/c26-18-23(27)22(17-16-19-10-4-1-5-11-19)25-24(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-27H,16-18H2/t22-,23+/m0/s1
InChIKeyRBHOACOVQJNCQX-XZOQPEGZSA-N
XLogP3.72
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-3-(1-phenylethylamino)butane-1,2,4-triol
CID 70991072
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
1-[[(1S)-2-hydroxy-1-phenylethyl]amino]-4-phenylbutan-2-ol
CID 159072005
2-(benzhydrylamino)propan-1-ol
CID 43499566
(1R)-1-(methylamino)-3-phenylpropan-1-ol
CID 67675162
N-benzhydryl-4-(4-methoxyphenyl)butan-2-amine
CID 2846404
(2R)-2-(4-phenylbutan-2-ylamino)butan-1-ol
CID 103922671
(1S,2R,3S)-2-methyl-1,5-diphenylpentane-1,3-diol
CID 101011502
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
2-hydroxy-N-(2-hydroxy-1-phenylethyl)-5-phenylpentanamide
CID 129208132
2-amino-4-phenylbutan-1-ol
CID 159249603

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(benzhydrylamino)-5-phenylpentane-1,2-diol?
The IUPAC name of (2S,3S)-3-(benzhydrylamino)-5-phenylpentane-1,2-diol (CID 10981294) is (2S,3S)-3-(benzhydrylamino)-5-phenylpentane-1,2-diol.
What is the SMILES notation for (2S,3S)-3-(benzhydrylamino)-5-phenylpentane-1,2-diol?
The canonical SMILES for (2S,3S)-3-(benzhydrylamino)-5-phenylpentane-1,2-diol is OC[C@@H](O)[C@H](CCc1ccccc1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3S)-3-(benzhydrylamino)-5-phenylpentane-1,2-diol?
The InChIKey is RBHOACOVQJNCQX-XZOQPEGZSA-N. The full InChI is InChI=1S/C24H27NO2/c26-18-23(27)22(17-16-19-10-4-1-5-11-19)25-24(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-27H,16-18H2/t22-,23+/m0/s1.
What are the key properties of (2S,3S)-3-(benzhydrylamino)-5-phenylpentane-1,2-diol?
(2S,3S)-3-(benzhydrylamino)-5-phenylpentane-1,2-diol has a molecular weight of 361.49 g/mol, XLogP of 3.72, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(benzhydrylamino)-5-phenylpentane-1,2-diol is sourced from PubChem (CID 10981294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).