2-methyl-1-(2,4,6-trifluorophenyl)propan-1-amine

C10H12F3N — CID 43198662

IUPAC2-methyl-1-(2,4,6-trifluorophenyl)propan-1-amine
SMILESCC(C)C(N)c1c(F)cc(F)cc1F
InChIInChI=1S/C10H12F3N/c1-5(2)10(14)9-7(12)3-6(11)4-8(9)13/h3-5,10H,14H2,1-2H3
InChIKeyQTITXKLOJQICHV-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.76
Rot. Bonds2

About 2-methyl-1-(2,4,6-trifluorophenyl)propan-1-amine

2-methyl-1-(2,4,6-trifluorophenyl)propan-1-amine (PubChem CID 43198662) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 2-methyl-1-(2,4,6-trifluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(2,4,6-trifluorophenyl)propan-1-amine
PubChem CID43198662
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name2-methyl-1-(2,4,6-trifluorophenyl)propan-1-amine
SMILESCC(C)C(N)c1c(F)cc(F)cc1F
InChIInChI=1S/C10H12F3N/c1-5(2)10(14)9-7(12)3-6(11)4-8(9)13/h3-5,10H,14H2,1-2H3
InChIKeyQTITXKLOJQICHV-UHFFFAOYSA-N
XLogP2.76
TPSA26.02 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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-1-(2,4,6-trifluorophenyl)propan-1-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

1-(4-bromo-2,6-difluorophenyl)-2-methylpropan-1-amine
CID 83402968
2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 113421976
1,3,5-trifluoro-2-(3-methylbutan-2-yl)benzene
CID 76786505
(1R)-1-(3,5-difluoro-4-pyridinyl)-2-methylpropan-1-amine
CID 130631106
2-methyl-1-(2,4,6-trifluorophenyl)propan-1-ol
CID 61087293
(1S)-3-methyl-1-(2,4,6-trifluorophenyl)butan-1-amine
CID 28501623
(4-propan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine
CID 43198710
(1R)-1-(2,4,6-trifluorophenyl)propan-1-amine;hydrochloride
CID 171204882
2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,6-difluorophenol
CID 130730137
3-[(1R)-1-amino-2-methylpropyl]-5-fluorophenol
CID 55274065
(1S)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol
CID 130722751
(1S)-2-methoxy-1-(2,4,6-trifluorophenyl)ethanamine
CID 130731385

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,4,6-trifluorophenyl)propan-1-amine?
The IUPAC name of 2-methyl-1-(2,4,6-trifluorophenyl)propan-1-amine (CID 43198662) is 2-methyl-1-(2,4,6-trifluorophenyl)propan-1-amine.
What is the SMILES notation for 2-methyl-1-(2,4,6-trifluorophenyl)propan-1-amine?
The canonical SMILES for 2-methyl-1-(2,4,6-trifluorophenyl)propan-1-amine is CC(C)C(N)c1c(F)cc(F)cc1F.
What is the InChIKey of 2-methyl-1-(2,4,6-trifluorophenyl)propan-1-amine?
The InChIKey is QTITXKLOJQICHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-5(2)10(14)9-7(12)3-6(11)4-8(9)13/h3-5,10H,14H2,1-2H3.
What are the key properties of 2-methyl-1-(2,4,6-trifluorophenyl)propan-1-amine?
2-methyl-1-(2,4,6-trifluorophenyl)propan-1-amine has a molecular weight of 203.21 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,4,6-trifluorophenyl)propan-1-amine is sourced from PubChem (CID 43198662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).