1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine

C11H14F3N — CID 84724008

IUPAC1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1CC(F)(F)F
InChIInChI=1S/C11H14F3N/c1-8(15)6-9-4-2-3-5-10(9)7-11(12,13)14/h2-5,8H,6-7,15H2,1H3
InChIKeyWEWYJHGRHHWDTE-UHFFFAOYSA-N
MW217.23 g/mol
LogP2.68
Rot. Bonds3

About 1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine

1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine (PubChem CID 84724008) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
PubChem CID84724008
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1CC(F)(F)F
InChIInChI=1S/C11H14F3N/c1-8(15)6-9-4-2-3-5-10(9)7-11(12,13)14/h2-5,8H,6-7,15H2,1H3
InChIKeyWEWYJHGRHHWDTE-UHFFFAOYSA-N
XLogP2.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[2-(2,2,2-trifluoroethyl)phenyl]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

Related Compounds

N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 84726410
1-[5-fluoro-2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 147165648
[2-[(2S)-2-aminopropyl]phenyl]methanol
CID 130643067
1-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 170143488
1-(2-butylphenyl)propan-2-amine
CID 21117027
N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]methanamine
CID 82608402
1-[2-(2-fluorophenyl)phenyl]propan-2-amine
CID 170864653
4-[2-(2-aminopropyl)phenyl]butan-1-amine
CID 66940380
2-amino-3-[2-(2-fluoro-2-methylpropyl)phenyl]propanoic acid
CID 117350993
[2-(2-fluoro-2-methylpropyl)phenyl]methanamine
CID 84658124
2-(2-aminopropyl)-6-ethylphenol
CID 83875214
(2R)-1-(3-fluoro-2-methylphenyl)propan-2-amine
CID 130795022

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine?
The IUPAC name of 1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine (CID 84724008) is 1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine is CC(N)Cc1ccccc1CC(F)(F)F.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine?
The InChIKey is WEWYJHGRHHWDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N/c1-8(15)6-9-4-2-3-5-10(9)7-11(12,13)14/h2-5,8H,6-7,15H2,1H3.
What are the key properties of 1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine?
1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine has a molecular weight of 217.23 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine is sourced from PubChem (CID 84724008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).