4-[3-(trifluoromethyl)phenyl]butan-2-amine

C11H14F3N — CID 3056799

IUPAC4-[3-(trifluoromethyl)phenyl]butan-2-amine
SMILESCC(N)CCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H14F3N/c1-8(15)5-6-9-3-2-4-10(7-9)11(12,13)14/h2-4,7-8H,5-6,15H2,1H3
InChIKeyQPVLCHKIGUQAOL-UHFFFAOYSA-N
MW217.23 g/mol
LogP2.99
Rot. Bonds3

About 4-[3-(trifluoromethyl)phenyl]butan-2-amine

4-[3-(trifluoromethyl)phenyl]butan-2-amine (PubChem CID 3056799) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)phenyl]butan-2-amine.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)phenyl]butan-2-amine
PubChem CID3056799
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name4-[3-(trifluoromethyl)phenyl]butan-2-amine
SMILESCC(N)CCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H14F3N/c1-8(15)5-6-9-3-2-4-10(7-9)11(12,13)14/h2-4,7-8H,5-6,15H2,1H3
InChIKeyQPVLCHKIGUQAOL-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[3-(trifluoromethyl)phenyl]butan-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

CID 1001
CID 1001
CID 3007
CID 3007
CID 5826
CID 5826
CID 3337
CID 3337
CID 66265
CID 66265
CID 32893
CID 32893
CID 15897
CID 15897
CID 7408
CID 7408
CID 66264
CID 66264
CID 91452
CID 91452
CID 16259
CID 16259
CID 31160
CID 31160

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)phenyl]butan-2-amine?
The IUPAC name of 4-[3-(trifluoromethyl)phenyl]butan-2-amine (CID 3056799) is 4-[3-(trifluoromethyl)phenyl]butan-2-amine.
What is the SMILES notation for 4-[3-(trifluoromethyl)phenyl]butan-2-amine?
The canonical SMILES for 4-[3-(trifluoromethyl)phenyl]butan-2-amine is CC(N)CCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-[3-(trifluoromethyl)phenyl]butan-2-amine?
The InChIKey is QPVLCHKIGUQAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N/c1-8(15)5-6-9-3-2-4-10(7-9)11(12,13)14/h2-4,7-8H,5-6,15H2,1H3.
What are the key properties of 4-[3-(trifluoromethyl)phenyl]butan-2-amine?
4-[3-(trifluoromethyl)phenyl]butan-2-amine has a molecular weight of 217.23 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)phenyl]butan-2-amine is sourced from PubChem (CID 3056799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).