N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-(oxolan-3-yloxy)propan-2-amine

C15H19F4NO2 — CID 75433072

IUPACN-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-(oxolan-3-yloxy)propan-2-amine
SMILESCC(COC1CCOC1)NCc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H19F4NO2/c1-10(8-22-12-4-5-21-9-12)20-7-11-2-3-14(16)13(6-11)15(17,18)19/h2-3,6,10,12,20H,4-5,7-9H2,1H3
InChIKeyPOQKKXHVMWEZGH-UHFFFAOYSA-N
MW321.31 g/mol
LogP3.13
Rot. Bonds6

About N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-(oxolan-3-yloxy)propan-2-amine

N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-(oxolan-3-yloxy)propan-2-amine (PubChem CID 75433072) has the molecular formula C15H19F4NO2 and a molecular weight of 321.31 g/mol. Its IUPAC name is N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-(oxolan-3-yloxy)propan-2-amine.

Molecular Properties

Compound NameN-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-(oxolan-3-yloxy)propan-2-amine
PubChem CID75433072
Molecular FormulaC15H19F4NO2
Molecular Weight321.31 g/mol
Exact Mass321.14
IUPAC NameN-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-(oxolan-3-yloxy)propan-2-amine
SMILESCC(COC1CCOC1)NCc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H19F4NO2/c1-10(8-22-12-4-5-21-9-12)20-7-11-2-3-14(16)13(6-11)15(17,18)19/h2-3,6,10,12,20H,4-5,7-9H2,1H3
InChIKeyPOQKKXHVMWEZGH-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-(oxolan-3-yloxy)propan-2-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 N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-(oxolan-3-yloxy)propan-2-amine?
The IUPAC name of N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-(oxolan-3-yloxy)propan-2-amine (CID 75433072) is N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-(oxolan-3-yloxy)propan-2-amine.
What is the SMILES notation for N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-(oxolan-3-yloxy)propan-2-amine?
The canonical SMILES for N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-(oxolan-3-yloxy)propan-2-amine is CC(COC1CCOC1)NCc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-(oxolan-3-yloxy)propan-2-amine?
The InChIKey is POQKKXHVMWEZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4NO2/c1-10(8-22-12-4-5-21-9-12)20-7-11-2-3-14(16)13(6-11)15(17,18)19/h2-3,6,10,12,20H,4-5,7-9H2,1H3.
What are the key properties of N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-(oxolan-3-yloxy)propan-2-amine?
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-(oxolan-3-yloxy)propan-2-amine has a molecular weight of 321.31 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-(oxolan-3-yloxy)propan-2-amine is sourced from PubChem (CID 75433072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).