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

C14H21F3N2 — CID 55008675

IUPAC2-(ethylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCCCN(CC(F)(F)F)c1ccccc1CNCC
InChIInChI=1S/C14H21F3N2/c1-3-9-19(11-14(15,16)17)13-8-6-5-7-12(13)10-18-4-2/h5-8,18H,3-4,9-11H2,1-2H3
InChIKeyBUUQFKCTYKRBPJ-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.57
Rot. Bonds7

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

2-(ethylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 55008675) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline
PubChem CID55008675
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name2-(ethylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCCCN(CC(F)(F)F)c1ccccc1CNCC
InChIInChI=1S/C14H21F3N2/c1-3-9-19(11-14(15,16)17)13-8-6-5-7-12(13)10-18-4-2/h5-8,18H,3-4,9-11H2,1-2H3
InChIKeyBUUQFKCTYKRBPJ-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.57
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
N-ethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline
CID 55009119
N'-ethyl-N'-[2-(ethylaminomethyl)phenyl]-N,N-dimethylpropane-1,3-diamine
CID 102995262
2-[1-(methylamino)propyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 115995093
2-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline
CID 43280883
N-ethyl-N-[2-(ethylaminomethyl)phenyl]-2-methylaniline
CID 43280687
2-[4-(ethylaminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107481554
1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanone
CID 55010180
3-(ethylaminomethyl)-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 106532513
(1S)-1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol
CID 55183941
ethyl 2-amino-3-[propyl(2,2,2-trifluoroethyl)amino]benzoate
CID 115545578
4-chloro-2-(ethylaminomethyl)-N,N-dipropylaniline
CID 114847374

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 2-(ethylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline (CID 55008675) is 2-(ethylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 2-(ethylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 2-(ethylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline is CCCN(CC(F)(F)F)c1ccccc1CNCC.
What is the InChIKey of 2-(ethylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is BUUQFKCTYKRBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-3-9-19(11-14(15,16)17)13-8-6-5-7-12(13)10-18-4-2/h5-8,18H,3-4,9-11H2,1-2H3.
What are the key properties of 2-(ethylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
2-(ethylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 274.33 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 55008675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).