3-(3-fluorophenoxy)-2-[3-(trifluoromethyl)phenyl]propan-1-amine

C16H15F4NO — CID 117243022

IUPAC3-(3-fluorophenoxy)-2-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESNCC(COc1cccc(F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F4NO/c17-14-5-2-6-15(8-14)22-10-12(9-21)11-3-1-4-13(7-11)16(18,19)20/h1-8,12H,9-10,21H2
InChIKeyLGQIRBGBEBMXDY-UHFFFAOYSA-N
MW313.29 g/mol
LogP3.97
Rot. Bonds5

About 3-(3-fluorophenoxy)-2-[3-(trifluoromethyl)phenyl]propan-1-amine

3-(3-fluorophenoxy)-2-[3-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 117243022) has the molecular formula C16H15F4NO and a molecular weight of 313.29 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)-2-[3-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-(3-fluorophenoxy)-2-[3-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID117243022
Molecular FormulaC16H15F4NO
Molecular Weight313.29 g/mol
Exact Mass313.11
IUPAC Name3-(3-fluorophenoxy)-2-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESNCC(COc1cccc(F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F4NO/c17-14-5-2-6-15(8-14)22-10-12(9-21)11-3-1-4-13(7-11)16(18,19)20/h1-8,12H,9-10,21H2
InChIKeyLGQIRBGBEBMXDY-UHFFFAOYSA-N
XLogP3.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3-fluorophenoxy)-2-[3-(trifluoromethyl)phenyl]propan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-(3-fluorophenoxy)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 117243023
2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 20546638
2-(5-methylfuran-2-yl)-3-[3-(trifluoromethyl)phenoxy]propan-1-amine
CID 117240547
2-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 117244962
1-phenyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 164622114
1-amino-3-(3-fluorophenoxy)propan-2-ol
CID 16784461
3-(3-fluorophenoxy)-2-(3-methylphenyl)propan-1-ol
CID 117243039
3-(3-fluorophenoxy)-2-methoxypropan-1-amine
CID 105452028
1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 91656323
(2R)-2-fluoro-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 97052338
1-[3-(trifluoromethyl)phenoxy]butan-2-amine
CID 11009853
2-(3-chlorophenyl)-3-phenoxypropan-1-amine
CID 117242977

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)-2-[3-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of 3-(3-fluorophenoxy)-2-[3-(trifluoromethyl)phenyl]propan-1-amine (CID 117243022) is 3-(3-fluorophenoxy)-2-[3-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for 3-(3-fluorophenoxy)-2-[3-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for 3-(3-fluorophenoxy)-2-[3-(trifluoromethyl)phenyl]propan-1-amine is NCC(COc1cccc(F)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(3-fluorophenoxy)-2-[3-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is LGQIRBGBEBMXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4NO/c17-14-5-2-6-15(8-14)22-10-12(9-21)11-3-1-4-13(7-11)16(18,19)20/h1-8,12H,9-10,21H2.
What are the key properties of 3-(3-fluorophenoxy)-2-[3-(trifluoromethyl)phenyl]propan-1-amine?
3-(3-fluorophenoxy)-2-[3-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 313.29 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenoxy)-2-[3-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 117243022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).