(2S,4R,5R)-2-benzhydryl-5-(benzylamino)oxan-4-ol

C25H27NO2 — CID 11394704

IUPAC(2S,4R,5R)-2-benzhydryl-5-(benzylamino)oxan-4-ol
SMILESO[C@@H]1C[C@@H](C(c2ccccc2)c2ccccc2)OC[C@H]1NCc1ccccc1
InChIInChI=1S/C25H27NO2/c27-23-16-24(28-18-22(23)26-17-19-10-4-1-5-11-19)25(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-27H,16-18H2/t22-,23-,24+/m1/s1
InChIKeyXXLPQPDHXVTHMM-SMIHKQSGSA-N
MW373.50 g/mol
LogP4.13
Rot. Bonds6

About (2S,4R,5R)-2-benzhydryl-5-(benzylamino)oxan-4-ol

(2S,4R,5R)-2-benzhydryl-5-(benzylamino)oxan-4-ol (PubChem CID 11394704) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is (2S,4R,5R)-2-benzhydryl-5-(benzylamino)oxan-4-ol.

Molecular Properties

Compound Name(2S,4R,5R)-2-benzhydryl-5-(benzylamino)oxan-4-ol
PubChem CID11394704
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name(2S,4R,5R)-2-benzhydryl-5-(benzylamino)oxan-4-ol
SMILESO[C@@H]1C[C@@H](C(c2ccccc2)c2ccccc2)OC[C@H]1NCc1ccccc1
InChIInChI=1S/C25H27NO2/c27-23-16-24(28-18-22(23)26-17-19-10-4-1-5-11-19)25(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-27H,16-18H2/t22-,23-,24+/m1/s1
InChIKeyXXLPQPDHXVTHMM-SMIHKQSGSA-N
XLogP4.13
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,5R)-2-benzhydryl-5-(benzylamino)oxan-4-ol?
The IUPAC name of (2S,4R,5R)-2-benzhydryl-5-(benzylamino)oxan-4-ol (CID 11394704) is (2S,4R,5R)-2-benzhydryl-5-(benzylamino)oxan-4-ol.
What is the SMILES notation for (2S,4R,5R)-2-benzhydryl-5-(benzylamino)oxan-4-ol?
The canonical SMILES for (2S,4R,5R)-2-benzhydryl-5-(benzylamino)oxan-4-ol is O[C@@H]1C[C@@H](C(c2ccccc2)c2ccccc2)OC[C@H]1NCc1ccccc1.
What is the InChIKey of (2S,4R,5R)-2-benzhydryl-5-(benzylamino)oxan-4-ol?
The InChIKey is XXLPQPDHXVTHMM-SMIHKQSGSA-N. The full InChI is InChI=1S/C25H27NO2/c27-23-16-24(28-18-22(23)26-17-19-10-4-1-5-11-19)25(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-27H,16-18H2/t22-,23-,24+/m1/s1.
What are the key properties of (2S,4R,5R)-2-benzhydryl-5-(benzylamino)oxan-4-ol?
(2S,4R,5R)-2-benzhydryl-5-(benzylamino)oxan-4-ol has a molecular weight of 373.50 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5R)-2-benzhydryl-5-(benzylamino)oxan-4-ol is sourced from PubChem (CID 11394704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).