1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine

C16H16F3N — CID 43177971

IUPAC1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCC(NCc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C16H16F3N/c1-12(14-7-3-2-4-8-14)20-11-13-6-5-9-15(10-13)16(17,18)19/h2-10,12,20H,11H2,1H3
InChIKeyYZTQSLWSAUOLSS-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.56
Rot. Bonds4

About 1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine

1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 43177971) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID43177971
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCC(NCc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C16H16F3N/c1-12(14-7-3-2-4-8-14)20-11-13-6-5-9-15(10-13)16(17,18)19/h2-10,12,20H,11H2,1H3
InChIKeyYZTQSLWSAUOLSS-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of 1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine (CID 43177971) is 1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine is CC(NCc1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is YZTQSLWSAUOLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c1-12(14-7-3-2-4-8-14)20-11-13-6-5-9-15(10-13)16(17,18)19/h2-10,12,20H,11H2,1H3.
What are the key properties of 1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 279.31 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 43177971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).