(2S)-2-benzhydryl-5-[2-(4-fluorophenyl)ethylamino]oxan-4-ol

C26H28FNO2 — CID 71449121

IUPAC(2S)-2-benzhydryl-5-[2-(4-fluorophenyl)ethylamino]oxan-4-ol
SMILESOC1C[C@@H](C(c2ccccc2)c2ccccc2)OCC1NCCc1ccc(F)cc1
InChIInChI=1S/C26H28FNO2/c27-22-13-11-19(12-14-22)15-16-28-23-18-30-25(17-24(23)29)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-26,28-29H,15-18H2/t23?,24?,25-/m0/s1
InChIKeyDTTQTDUZOHHUFF-STEQJIOHSA-N
MW405.51 g/mol
LogP4.31
Rot. Bonds7

About (2S)-2-benzhydryl-5-[2-(4-fluorophenyl)ethylamino]oxan-4-ol

(2S)-2-benzhydryl-5-[2-(4-fluorophenyl)ethylamino]oxan-4-ol (PubChem CID 71449121) has the molecular formula C26H28FNO2 and a molecular weight of 405.51 g/mol. Its IUPAC name is (2S)-2-benzhydryl-5-[2-(4-fluorophenyl)ethylamino]oxan-4-ol.

Molecular Properties

Compound Name(2S)-2-benzhydryl-5-[2-(4-fluorophenyl)ethylamino]oxan-4-ol
PubChem CID71449121
Molecular FormulaC26H28FNO2
Molecular Weight405.51 g/mol
Exact Mass405.21
IUPAC Name(2S)-2-benzhydryl-5-[2-(4-fluorophenyl)ethylamino]oxan-4-ol
SMILESOC1C[C@@H](C(c2ccccc2)c2ccccc2)OCC1NCCc1ccc(F)cc1
InChIInChI=1S/C26H28FNO2/c27-22-13-11-19(12-14-22)15-16-28-23-18-30-25(17-24(23)29)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-26,28-29H,15-18H2/t23?,24?,25-/m0/s1
InChIKeyDTTQTDUZOHHUFF-STEQJIOHSA-N
XLogP4.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzhydryl-5-[2-(4-fluorophenyl)ethylamino]oxan-4-ol?
The IUPAC name of (2S)-2-benzhydryl-5-[2-(4-fluorophenyl)ethylamino]oxan-4-ol (CID 71449121) is (2S)-2-benzhydryl-5-[2-(4-fluorophenyl)ethylamino]oxan-4-ol.
What is the SMILES notation for (2S)-2-benzhydryl-5-[2-(4-fluorophenyl)ethylamino]oxan-4-ol?
The canonical SMILES for (2S)-2-benzhydryl-5-[2-(4-fluorophenyl)ethylamino]oxan-4-ol is OC1C[C@@H](C(c2ccccc2)c2ccccc2)OCC1NCCc1ccc(F)cc1.
What is the InChIKey of (2S)-2-benzhydryl-5-[2-(4-fluorophenyl)ethylamino]oxan-4-ol?
The InChIKey is DTTQTDUZOHHUFF-STEQJIOHSA-N. The full InChI is InChI=1S/C26H28FNO2/c27-22-13-11-19(12-14-22)15-16-28-23-18-30-25(17-24(23)29)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-26,28-29H,15-18H2/t23?,24?,25-/m0/s1.
What are the key properties of (2S)-2-benzhydryl-5-[2-(4-fluorophenyl)ethylamino]oxan-4-ol?
(2S)-2-benzhydryl-5-[2-(4-fluorophenyl)ethylamino]oxan-4-ol has a molecular weight of 405.51 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzhydryl-5-[2-(4-fluorophenyl)ethylamino]oxan-4-ol is sourced from PubChem (CID 71449121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).