N-methyl-1-[2,4,6-tris(trifluoromethyl)phenyl]propan-1-amine

C13H12F9N — CID 139965873

IUPACN-methyl-1-[2,4,6-tris(trifluoromethyl)phenyl]propan-1-amine
SMILESCCC(NC)c1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C13H12F9N/c1-3-9(23-2)10-7(12(17,18)19)4-6(11(14,15)16)5-8(10)13(20,21)22/h4-5,9,23H,3H2,1-2H3
InChIKeyFDFWTPZNZOURSH-UHFFFAOYSA-N
MW353.23 g/mol
LogP5.41
Rot. Bonds3

About N-methyl-1-[2,4,6-tris(trifluoromethyl)phenyl]propan-1-amine

N-methyl-1-[2,4,6-tris(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 139965873) has the molecular formula C13H12F9N and a molecular weight of 353.23 g/mol. Its IUPAC name is N-methyl-1-[2,4,6-tris(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[2,4,6-tris(trifluoromethyl)phenyl]propan-1-amine
PubChem CID139965873
Molecular FormulaC13H12F9N
Molecular Weight353.23 g/mol
Exact Mass353.08
IUPAC NameN-methyl-1-[2,4,6-tris(trifluoromethyl)phenyl]propan-1-amine
SMILESCCC(NC)c1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C13H12F9N/c1-3-9(23-2)10-7(12(17,18)19)4-6(11(14,15)16)5-8(10)13(20,21)22/h4-5,9,23H,3H2,1-2H3
InChIKeyFDFWTPZNZOURSH-UHFFFAOYSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.23
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 24890731
[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]propyl]hydrazine
CID 124633832
1-[2,3-bis(trifluoromethyl)phenyl]-N-methylpropan-1-amine
CID 139966105
1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine
CID 106877539
(1R)-1-(2,6-dimethylphenyl)-N-methylpropan-1-amine
CID 70333956
(1S,2R)-1-amino-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-3-methylpentan-2-ol;hydrochloride
CID 171271721
(1R)-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
CID 171216128
2-fluoro-1,3,5-tris(trifluoromethyl)benzene
CID 12503713
N-methyl-1-[2,3,6-tris(trifluoromethoxy)phenyl]propan-1-amine
CID 139965798
1-(chloromethyl)-2-ethyl-3,5-bis(trifluoromethyl)benzene
CID 135742809
1-[2-bromo-5-(trifluoromethyl)phenyl]-3-ethyl-N-methylpentan-1-amine
CID 105028352
3-bromo-N-(2-ethylbutyl)-5-(trifluoromethyl)aniline
CID 65491796

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2,4,6-tris(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of N-methyl-1-[2,4,6-tris(trifluoromethyl)phenyl]propan-1-amine (CID 139965873) is N-methyl-1-[2,4,6-tris(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for N-methyl-1-[2,4,6-tris(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for N-methyl-1-[2,4,6-tris(trifluoromethyl)phenyl]propan-1-amine is CCC(NC)c1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of N-methyl-1-[2,4,6-tris(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is FDFWTPZNZOURSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F9N/c1-3-9(23-2)10-7(12(17,18)19)4-6(11(14,15)16)5-8(10)13(20,21)22/h4-5,9,23H,3H2,1-2H3.
What are the key properties of N-methyl-1-[2,4,6-tris(trifluoromethyl)phenyl]propan-1-amine?
N-methyl-1-[2,4,6-tris(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 353.23 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2,4,6-tris(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 139965873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).