2-[1-(methylamino)propyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline

C15H23F3N2 — CID 115995093

IUPAC2-[1-(methylamino)propyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCCCN(CC(F)(F)F)c1ccccc1C(CC)NC
InChIInChI=1S/C15H23F3N2/c1-4-10-20(11-15(16,17)18)14-9-7-6-8-12(14)13(5-2)19-3/h6-9,13,19H,4-5,10-11H2,1-3H3
InChIKeyJTZGJGBVZZZDQW-UHFFFAOYSA-N
MW288.36 g/mol
LogP4.14
Rot. Bonds7

About 2-[1-(methylamino)propyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline

2-[1-(methylamino)propyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 115995093) has the molecular formula C15H23F3N2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 2-[1-(methylamino)propyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name2-[1-(methylamino)propyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline
PubChem CID115995093
Molecular FormulaC15H23F3N2
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC Name2-[1-(methylamino)propyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCCCN(CC(F)(F)F)c1ccccc1C(CC)NC
InChIInChI=1S/C15H23F3N2/c1-4-10-20(11-15(16,17)18)14-9-7-6-8-12(14)13(5-2)19-3/h6-9,13,19H,4-5,10-11H2,1-3H3
InChIKeyJTZGJGBVZZZDQW-UHFFFAOYSA-N
XLogP4.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 55008622
(1R)-1-[2-[ethyl(2,2,2-trifluoroethyl)amino]phenyl]propan-1-ol
CID 113358997
2-(ethylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 55008675
(1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 24890731
5-bromo-2-[1-(methylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 82968783
2-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 55010759
N-methyl-2-[1-(methylamino)propyl]-N-(4-methylpentan-2-yl)aniline
CID 112678050
1-[N-ethyl-2-[1-(propylamino)propyl]anilino]-2-methylpropan-2-ol
CID 115995337
(1S)-1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol
CID 55183941
1-[2-[ethyl(propyl)amino]phenyl]propan-1-ol
CID 112678795
2-[N-cyclopropyl-2-[1-(methylamino)propyl]anilino]ethanol
CID 112678034
N-cyclohexyl-N-methyl-2-[1-(methylamino)propyl]aniline
CID 112677774

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)propyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 2-[1-(methylamino)propyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline (CID 115995093) is 2-[1-(methylamino)propyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 2-[1-(methylamino)propyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 2-[1-(methylamino)propyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline is CCCN(CC(F)(F)F)c1ccccc1C(CC)NC.
What is the InChIKey of 2-[1-(methylamino)propyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is JTZGJGBVZZZDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2/c1-4-10-20(11-15(16,17)18)14-9-7-6-8-12(14)13(5-2)19-3/h6-9,13,19H,4-5,10-11H2,1-3H3.
What are the key properties of 2-[1-(methylamino)propyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
2-[1-(methylamino)propyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 288.36 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)propyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 115995093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).