2-methyl-4-[3-(trifluoromethyl)phenyl]pentan-3-amine

C13H18F3N — CID 79298392

IUPAC2-methyl-4-[3-(trifluoromethyl)phenyl]pentan-3-amine
SMILESCC(C)C(N)C(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3N/c1-8(2)12(17)9(3)10-5-4-6-11(7-10)13(14,15)16/h4-9,12H,17H2,1-3H3
InChIKeyZILOJRIWQPXHHG-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.79
Rot. Bonds3

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

2-methyl-4-[3-(trifluoromethyl)phenyl]pentan-3-amine (PubChem CID 79298392) has the molecular formula C13H18F3N and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-methyl-4-[3-(trifluoromethyl)phenyl]pentan-3-amine.

Molecular Properties

Compound Name2-methyl-4-[3-(trifluoromethyl)phenyl]pentan-3-amine
PubChem CID79298392
Molecular FormulaC13H18F3N
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name2-methyl-4-[3-(trifluoromethyl)phenyl]pentan-3-amine
SMILESCC(C)C(N)C(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3N/c1-8(2)12(17)9(3)10-5-4-6-11(7-10)13(14,15)16/h4-9,12H,17H2,1-3H3
InChIKeyZILOJRIWQPXHHG-UHFFFAOYSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-4-[3-(trifluoromethyl)phenyl]pentan-3-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

(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
(1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 170986461
(1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 129052960
O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 10899748
1-(2-methyl-1-nitrosopropyl)-3-(trifluoromethyl)benzene
CID 123680621
2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64634045
(1S)-2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 171311708
(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine
CID 170898673
N'-methyl-N'-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54938195
2-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 166520305
(2S)-2-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide
CID 119316444
ethyl 2-hydroxy-3-[3-(trifluoromethyl)phenyl]butanoate
CID 66290861

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-(trifluoromethyl)phenyl]pentan-3-amine?
The IUPAC name of 2-methyl-4-[3-(trifluoromethyl)phenyl]pentan-3-amine (CID 79298392) is 2-methyl-4-[3-(trifluoromethyl)phenyl]pentan-3-amine.
What is the SMILES notation for 2-methyl-4-[3-(trifluoromethyl)phenyl]pentan-3-amine?
The canonical SMILES for 2-methyl-4-[3-(trifluoromethyl)phenyl]pentan-3-amine is CC(C)C(N)C(C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-4-[3-(trifluoromethyl)phenyl]pentan-3-amine?
The InChIKey is ZILOJRIWQPXHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N/c1-8(2)12(17)9(3)10-5-4-6-11(7-10)13(14,15)16/h4-9,12H,17H2,1-3H3.
What are the key properties of 2-methyl-4-[3-(trifluoromethyl)phenyl]pentan-3-amine?
2-methyl-4-[3-(trifluoromethyl)phenyl]pentan-3-amine has a molecular weight of 245.29 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-(trifluoromethyl)phenyl]pentan-3-amine is sourced from PubChem (CID 79298392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).