(3S,6S)-6-benzhydryl-4-(benzylamino)oxan-3-ol

C25H27NO2 — CID 71454497

IUPAC(3S,6S)-6-benzhydryl-4-(benzylamino)oxan-3-ol
SMILESO[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)CC1NCc1ccccc1
InChIInChI=1S/C25H27NO2/c27-23-18-28-24(16-22(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
InChIKeyKVFPFYVUWUNGRU-XQFMJXHWSA-N
MW373.50 g/mol
LogP4.13
Rot. Bonds6

About (3S,6S)-6-benzhydryl-4-(benzylamino)oxan-3-ol

(3S,6S)-6-benzhydryl-4-(benzylamino)oxan-3-ol (PubChem CID 71454497) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is (3S,6S)-6-benzhydryl-4-(benzylamino)oxan-3-ol.

Molecular Properties

Compound Name(3S,6S)-6-benzhydryl-4-(benzylamino)oxan-3-ol
PubChem CID71454497
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name(3S,6S)-6-benzhydryl-4-(benzylamino)oxan-3-ol
SMILESO[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)CC1NCc1ccccc1
InChIInChI=1S/C25H27NO2/c27-23-18-28-24(16-22(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
InChIKeyKVFPFYVUWUNGRU-XQFMJXHWSA-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 (3S,6S)-6-benzhydryl-4-(benzylamino)oxan-3-ol?
The IUPAC name of (3S,6S)-6-benzhydryl-4-(benzylamino)oxan-3-ol (CID 71454497) is (3S,6S)-6-benzhydryl-4-(benzylamino)oxan-3-ol.
What is the SMILES notation for (3S,6S)-6-benzhydryl-4-(benzylamino)oxan-3-ol?
The canonical SMILES for (3S,6S)-6-benzhydryl-4-(benzylamino)oxan-3-ol is O[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)CC1NCc1ccccc1.
What is the InChIKey of (3S,6S)-6-benzhydryl-4-(benzylamino)oxan-3-ol?
The InChIKey is KVFPFYVUWUNGRU-XQFMJXHWSA-N. The full InChI is InChI=1S/C25H27NO2/c27-23-18-28-24(16-22(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 (3S,6S)-6-benzhydryl-4-(benzylamino)oxan-3-ol?
(3S,6S)-6-benzhydryl-4-(benzylamino)oxan-3-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 (3S,6S)-6-benzhydryl-4-(benzylamino)oxan-3-ol is sourced from PubChem (CID 71454497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).