1-[3-(trifluoromethyl)phenyl]ethanamine

C9H10F3N — CID 2782448

IUPAC1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCC(N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H10F3N/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-6H,13H2,1H3
InChIKeyODZXRBRYQGYVJY-UHFFFAOYSA-N
MW189.18 g/mol
LogP2.73
Rot. Bonds1

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

1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 2782448) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID2782448
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCC(N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H10F3N/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-6H,13H2,1H3
InChIKeyODZXRBRYQGYVJY-UHFFFAOYSA-N
XLogP2.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[3-(trifluoromethyl)phenyl]ethanamine 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 1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]ethanamine (CID 2782448) is 1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]ethanamine is CC(N)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is ODZXRBRYQGYVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-6H,13H2,1H3.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]ethanamine?
1-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 189.18 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 2782448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).