(3S,4S)-4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]oxolan-3-amine

C17H17F2NO — CID 92568682

IUPAC(3S,4S)-4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]oxolan-3-amine
SMILESFc1ccc([C@@H]2COC[C@H]2NCc2cccc(F)c2)cc1
InChIInChI=1S/C17H17F2NO/c18-14-6-4-13(5-7-14)16-10-21-11-17(16)20-9-12-2-1-3-15(19)8-12/h1-8,16-17,20H,9-11H2/t16-,17+/m0/s1
InChIKeyNPDDOBSFRNEKTB-DLBZAZTESA-N
MW289.33 g/mol
LogP3.24
Rot. Bonds4

About (3S,4S)-4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]oxolan-3-amine

(3S,4S)-4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]oxolan-3-amine (PubChem CID 92568682) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is (3S,4S)-4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name(3S,4S)-4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]oxolan-3-amine
PubChem CID92568682
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name(3S,4S)-4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]oxolan-3-amine
SMILESFc1ccc([C@@H]2COC[C@H]2NCc2cccc(F)c2)cc1
InChIInChI=1S/C17H17F2NO/c18-14-6-4-13(5-7-14)16-10-21-11-17(16)20-9-12-2-1-3-15(19)8-12/h1-8,16-17,20H,9-11H2/t16-,17+/m0/s1
InChIKeyNPDDOBSFRNEKTB-DLBZAZTESA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S,4S)-4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]oxolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]oxolan-3-amine?
The IUPAC name of (3S,4S)-4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]oxolan-3-amine (CID 92568682) is (3S,4S)-4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]oxolan-3-amine.
What is the SMILES notation for (3S,4S)-4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]oxolan-3-amine?
The canonical SMILES for (3S,4S)-4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]oxolan-3-amine is Fc1ccc([C@@H]2COC[C@H]2NCc2cccc(F)c2)cc1.
What is the InChIKey of (3S,4S)-4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]oxolan-3-amine?
The InChIKey is NPDDOBSFRNEKTB-DLBZAZTESA-N. The full InChI is InChI=1S/C17H17F2NO/c18-14-6-4-13(5-7-14)16-10-21-11-17(16)20-9-12-2-1-3-15(19)8-12/h1-8,16-17,20H,9-11H2/t16-,17+/m0/s1.
What are the key properties of (3S,4S)-4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]oxolan-3-amine?
(3S,4S)-4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]oxolan-3-amine has a molecular weight of 289.33 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]oxolan-3-amine is sourced from PubChem (CID 92568682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).