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

C15H20FNO — CID 97168671

IUPAC(3R,4S)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]oxan-4-amine
SMILESFc1ccc(C[C@H]2COCC[C@@H]2NC2CC2)cc1
InChIInChI=1S/C15H20FNO/c16-13-3-1-11(2-4-13)9-12-10-18-8-7-15(12)17-14-5-6-14/h1-4,12,14-15,17H,5-10H2/t12-,15-/m0/s1
InChIKeyXZJRAGWWPVZCMA-WFASDCNBSA-N
MW249.33 g/mol
LogP2.53
Rot. Bonds4

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

(3R,4S)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]oxan-4-amine (PubChem CID 97168671) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is (3R,4S)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]oxan-4-amine.

Molecular Properties

Compound Name(3R,4S)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]oxan-4-amine
PubChem CID97168671
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name(3R,4S)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]oxan-4-amine
SMILESFc1ccc(C[C@H]2COCC[C@@H]2NC2CC2)cc1
InChIInChI=1S/C15H20FNO/c16-13-3-1-11(2-4-13)9-12-10-18-8-7-15(12)17-14-5-6-14/h1-4,12,14-15,17H,5-10H2/t12-,15-/m0/s1
InChIKeyXZJRAGWWPVZCMA-WFASDCNBSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R,4S)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]oxan-4-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 (3R,4S)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]oxan-4-amine?
The IUPAC name of (3R,4S)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]oxan-4-amine (CID 97168671) is (3R,4S)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]oxan-4-amine.
What is the SMILES notation for (3R,4S)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]oxan-4-amine?
The canonical SMILES for (3R,4S)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]oxan-4-amine is Fc1ccc(C[C@H]2COCC[C@@H]2NC2CC2)cc1.
What is the InChIKey of (3R,4S)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]oxan-4-amine?
The InChIKey is XZJRAGWWPVZCMA-WFASDCNBSA-N. The full InChI is InChI=1S/C15H20FNO/c16-13-3-1-11(2-4-13)9-12-10-18-8-7-15(12)17-14-5-6-14/h1-4,12,14-15,17H,5-10H2/t12-,15-/m0/s1.
What are the key properties of (3R,4S)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]oxan-4-amine?
(3R,4S)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]oxan-4-amine has a molecular weight of 249.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]oxan-4-amine is sourced from PubChem (CID 97168671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).