(3S,5S)-5-benzhydryl-N-[2-(4-fluorophenyl)ethyl]oxolan-3-amine

C25H26FNO — CID 73057693

IUPAC(3S,5S)-5-benzhydryl-N-[2-(4-fluorophenyl)ethyl]oxolan-3-amine
SMILESFc1ccc(CCN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C25H26FNO/c26-22-13-11-19(12-14-22)15-16-27-23-17-24(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
InChIKeyMUHVQIZXOQDYCC-ZEQRLZLVSA-N
MW375.49 g/mol
LogP4.95
Rot. Bonds7

About (3S,5S)-5-benzhydryl-N-[2-(4-fluorophenyl)ethyl]oxolan-3-amine

(3S,5S)-5-benzhydryl-N-[2-(4-fluorophenyl)ethyl]oxolan-3-amine (PubChem CID 73057693) has the molecular formula C25H26FNO and a molecular weight of 375.49 g/mol. Its IUPAC name is (3S,5S)-5-benzhydryl-N-[2-(4-fluorophenyl)ethyl]oxolan-3-amine.

Molecular Properties

Compound Name(3S,5S)-5-benzhydryl-N-[2-(4-fluorophenyl)ethyl]oxolan-3-amine
PubChem CID73057693
Molecular FormulaC25H26FNO
Molecular Weight375.49 g/mol
Exact Mass375.20
IUPAC Name(3S,5S)-5-benzhydryl-N-[2-(4-fluorophenyl)ethyl]oxolan-3-amine
SMILESFc1ccc(CCN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C25H26FNO/c26-22-13-11-19(12-14-22)15-16-27-23-17-24(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
InChIKeyMUHVQIZXOQDYCC-ZEQRLZLVSA-N
XLogP4.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-benzhydryl-N-[2-(4-fluorophenyl)ethyl]oxolan-3-amine?
The IUPAC name of (3S,5S)-5-benzhydryl-N-[2-(4-fluorophenyl)ethyl]oxolan-3-amine (CID 73057693) is (3S,5S)-5-benzhydryl-N-[2-(4-fluorophenyl)ethyl]oxolan-3-amine.
What is the SMILES notation for (3S,5S)-5-benzhydryl-N-[2-(4-fluorophenyl)ethyl]oxolan-3-amine?
The canonical SMILES for (3S,5S)-5-benzhydryl-N-[2-(4-fluorophenyl)ethyl]oxolan-3-amine is Fc1ccc(CCN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C2)cc1.
What is the InChIKey of (3S,5S)-5-benzhydryl-N-[2-(4-fluorophenyl)ethyl]oxolan-3-amine?
The InChIKey is MUHVQIZXOQDYCC-ZEQRLZLVSA-N. The full InChI is InChI=1S/C25H26FNO/c26-22-13-11-19(12-14-22)15-16-27-23-17-24(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,5S)-5-benzhydryl-N-[2-(4-fluorophenyl)ethyl]oxolan-3-amine?
(3S,5S)-5-benzhydryl-N-[2-(4-fluorophenyl)ethyl]oxolan-3-amine has a molecular weight of 375.49 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-benzhydryl-N-[2-(4-fluorophenyl)ethyl]oxolan-3-amine is sourced from PubChem (CID 73057693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).