(2S,4R,5R)-2-benzhydryl-5-[(4-fluorophenyl)methylamino]oxan-4-ol

C25H26FNO2 — CID 11303888

IUPAC(2S,4R,5R)-2-benzhydryl-5-[(4-fluorophenyl)methylamino]oxan-4-ol
SMILESO[C@@H]1C[C@@H](C(c2ccccc2)c2ccccc2)OC[C@H]1NCc1ccc(F)cc1
InChIInChI=1S/C25H26FNO2/c26-21-13-11-18(12-14-21)16-27-22-17-29-24(15-23(22)28)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,22-25,27-28H,15-17H2/t22-,23-,24+/m1/s1
InChIKeyFLDLQCILZSMNPF-SMIHKQSGSA-N
MW391.49 g/mol
LogP4.27
Rot. Bonds6

About (2S,4R,5R)-2-benzhydryl-5-[(4-fluorophenyl)methylamino]oxan-4-ol

(2S,4R,5R)-2-benzhydryl-5-[(4-fluorophenyl)methylamino]oxan-4-ol (PubChem CID 11303888) has the molecular formula C25H26FNO2 and a molecular weight of 391.49 g/mol. Its IUPAC name is (2S,4R,5R)-2-benzhydryl-5-[(4-fluorophenyl)methylamino]oxan-4-ol.

Molecular Properties

Compound Name(2S,4R,5R)-2-benzhydryl-5-[(4-fluorophenyl)methylamino]oxan-4-ol
PubChem CID11303888
Molecular FormulaC25H26FNO2
Molecular Weight391.49 g/mol
Exact Mass391.19
IUPAC Name(2S,4R,5R)-2-benzhydryl-5-[(4-fluorophenyl)methylamino]oxan-4-ol
SMILESO[C@@H]1C[C@@H](C(c2ccccc2)c2ccccc2)OC[C@H]1NCc1ccc(F)cc1
InChIInChI=1S/C25H26FNO2/c26-21-13-11-18(12-14-21)16-27-22-17-29-24(15-23(22)28)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,22-25,27-28H,15-17H2/t22-,23-,24+/m1/s1
InChIKeyFLDLQCILZSMNPF-SMIHKQSGSA-N
XLogP4.27
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5S)-2-benzhydryl-5-[(4-methoxyphenyl)methylamino]oxan-4-ol
CID 71457986
2-[bis(4-fluorophenyl)methyl]-5-[(4-nitrophenyl)methylamino]oxan-4-ol
CID 86303134
2-benzhydryl-5-[(4-hydroxy-3-methoxyphenyl)methylamino]oxan-4-ol
CID 86302813
(2R,4S)-2-benzhydryl-N-[(4-fluorophenyl)methyl]oxan-4-amine
CID 66631634
(3S,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]oxan-3-amine
CID 66632050
2-[bis(4-fluorophenyl)methyl]-5-[(2-methyl-1,3-benzoxazol-6-yl)methylamino]oxan-4-ol
CID 122591268
2-[bis(4-fluorophenyl)methyl]-5-[(2,5-dimethoxyphenyl)methylamino]oxan-4-ol
CID 86304362
(3S,4R)-4-[(4-fluorophenyl)methylamino]oxolan-3-ol
CID 93384215
N-[(6S)-6-benzhydryloxan-3-yl]-2-(4-fluorophenyl)acetamide
CID 69177779
trans-(1R,2S)-N-[(4-fluorophenyl)methyl]-2-phenylcyclopropan-1-amine
CID 46869734
N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536621
(3S,6S)-6-benzhydryl-N-[(4-methoxyphenyl)methyl]oxan-3-amine
CID 52951980

Frequently Asked Questions

What is the IUPAC name of (2S,4R,5R)-2-benzhydryl-5-[(4-fluorophenyl)methylamino]oxan-4-ol?
The IUPAC name of (2S,4R,5R)-2-benzhydryl-5-[(4-fluorophenyl)methylamino]oxan-4-ol (CID 11303888) is (2S,4R,5R)-2-benzhydryl-5-[(4-fluorophenyl)methylamino]oxan-4-ol.
What is the SMILES notation for (2S,4R,5R)-2-benzhydryl-5-[(4-fluorophenyl)methylamino]oxan-4-ol?
The canonical SMILES for (2S,4R,5R)-2-benzhydryl-5-[(4-fluorophenyl)methylamino]oxan-4-ol is O[C@@H]1C[C@@H](C(c2ccccc2)c2ccccc2)OC[C@H]1NCc1ccc(F)cc1.
What is the InChIKey of (2S,4R,5R)-2-benzhydryl-5-[(4-fluorophenyl)methylamino]oxan-4-ol?
The InChIKey is FLDLQCILZSMNPF-SMIHKQSGSA-N. The full InChI is InChI=1S/C25H26FNO2/c26-21-13-11-18(12-14-21)16-27-22-17-29-24(15-23(22)28)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,22-25,27-28H,15-17H2/t22-,23-,24+/m1/s1.
What are the key properties of (2S,4R,5R)-2-benzhydryl-5-[(4-fluorophenyl)methylamino]oxan-4-ol?
(2S,4R,5R)-2-benzhydryl-5-[(4-fluorophenyl)methylamino]oxan-4-ol has a molecular weight of 391.49 g/mol, XLogP of 4.27, 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-[(4-fluorophenyl)methylamino]oxan-4-ol is sourced from PubChem (CID 11303888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).