(3S,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]oxan-3-amine

C25H26FNO — CID 66632050

IUPAC(3S,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]oxan-3-amine
SMILESFc1ccc(CN[C@H]2CC[C@H](C(c3ccccc3)c3ccccc3)OC2)cc1
InChIInChI=1S/C25H26FNO/c26-22-13-11-19(12-14-22)17-27-23-15-16-24(28-18-23)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-25,27H,15-18H2/t23-,24+/m0/s1
InChIKeyPZUVPFOEYUKFCA-BJKOFHAPSA-N
MW375.49 g/mol
LogP5.30
Rot. Bonds6

About (3S,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]oxan-3-amine

(3S,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]oxan-3-amine (PubChem CID 66632050) has the molecular formula C25H26FNO and a molecular weight of 375.49 g/mol. Its IUPAC name is (3S,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]oxan-3-amine.

Molecular Properties

Compound Name(3S,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]oxan-3-amine
PubChem CID66632050
Molecular FormulaC25H26FNO
Molecular Weight375.49 g/mol
Exact Mass375.20
IUPAC Name(3S,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]oxan-3-amine
SMILESFc1ccc(CN[C@H]2CC[C@H](C(c3ccccc3)c3ccccc3)OC2)cc1
InChIInChI=1S/C25H26FNO/c26-22-13-11-19(12-14-22)17-27-23-15-16-24(28-18-23)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-25,27H,15-18H2/t23-,24+/m0/s1
InChIKeyPZUVPFOEYUKFCA-BJKOFHAPSA-N
XLogP5.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.49
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]oxan-3-amine?
The IUPAC name of (3S,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]oxan-3-amine (CID 66632050) is (3S,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]oxan-3-amine.
What is the SMILES notation for (3S,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]oxan-3-amine?
The canonical SMILES for (3S,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]oxan-3-amine is Fc1ccc(CN[C@H]2CC[C@H](C(c3ccccc3)c3ccccc3)OC2)cc1.
What is the InChIKey of (3S,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]oxan-3-amine?
The InChIKey is PZUVPFOEYUKFCA-BJKOFHAPSA-N. The full InChI is InChI=1S/C25H26FNO/c26-22-13-11-19(12-14-22)17-27-23-15-16-24(28-18-23)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-25,27H,15-18H2/t23-,24+/m0/s1.
What are the key properties of (3S,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]oxan-3-amine?
(3S,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]oxan-3-amine has a molecular weight of 375.49 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]oxan-3-amine is sourced from PubChem (CID 66632050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).