N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine

C10H12F3N — CID 21251050

IUPACN-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H12F3N/c1-7(14-2)8-3-5-9(6-4-8)10(11,12)13/h3-7,14H,1-2H3
InChIKeyHJCYBPVJJPKIFJ-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.99
Rot. Bonds2

About N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine

N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 21251050) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID21251050
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC NameN-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H12F3N/c1-7(14-2)8-3-5-9(6-4-8)10(11,12)13/h3-7,14H,1-2H3
InChIKeyHJCYBPVJJPKIFJ-UHFFFAOYSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-methyl-1-[4-(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 N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine (CID 21251050) is N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine is CNC(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is HJCYBPVJJPKIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-7(14-2)8-3-5-9(6-4-8)10(11,12)13/h3-7,14H,1-2H3.
What are the key properties of N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine?
N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 203.21 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 21251050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).