2-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline

C13H19F3N2 — CID 55008622

IUPAC2-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCCCN(CC(F)(F)F)c1ccccc1CNC
InChIInChI=1S/C13H19F3N2/c1-3-8-18(10-13(14,15)16)12-7-5-4-6-11(12)9-17-2/h4-7,17H,3,8-10H2,1-2H3
InChIKeyVTZVGVIGSQHCGF-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.18
Rot. Bonds6

About 2-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline

2-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 55008622) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline
PubChem CID55008622
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name2-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCCCN(CC(F)(F)F)c1ccccc1CNC
InChIInChI=1S/C13H19F3N2/c1-3-8-18(10-13(14,15)16)12-7-5-4-6-11(12)9-17-2/h4-7,17H,3,8-10H2,1-2H3
InChIKeyVTZVGVIGSQHCGF-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 55008675
N,N-diethyl-2-(methylaminomethyl)aniline
CID 43243693
N-ethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline
CID 55009119
2-[1-(methylamino)propyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 115995093
2-(methylaminomethyl)-N,N-bis(3-methylbutyl)aniline
CID 107870537
5-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine
CID 107379383
2-(chloromethyl)-4-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 63567113
N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]methanamine
CID 82608402
5-bromo-2-[(cyclopropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 63553253
2-amino-3-[propyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide
CID 115992553
1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanone
CID 55010180
(1S)-1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol
CID 55183941

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 2-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline (CID 55008622) is 2-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 2-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 2-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline is CCCN(CC(F)(F)F)c1ccccc1CNC.
What is the InChIKey of 2-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is VTZVGVIGSQHCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-3-8-18(10-13(14,15)16)12-7-5-4-6-11(12)9-17-2/h4-7,17H,3,8-10H2,1-2H3.
What are the key properties of 2-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
2-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 260.30 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 55008622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).