2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline

C13H16F4N2 — CID 55236190

IUPAC2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline
SMILESNCCc1cc(F)ccc1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C13H16F4N2/c14-10-1-4-12(9(7-10)5-6-18)19(11-2-3-11)8-13(15,16)17/h1,4,7,11H,2-3,5-6,8,18H2
InChIKeyYNPRJGCDPRNJEL-UHFFFAOYSA-N
MW276.28 g/mol
LogP2.86
Rot. Bonds5

About 2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline

2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 55236190) has the molecular formula C13H16F4N2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline
PubChem CID55236190
Molecular FormulaC13H16F4N2
Molecular Weight276.28 g/mol
Exact Mass276.12
IUPAC Name2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline
SMILESNCCc1cc(F)ccc1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C13H16F4N2/c14-10-1-4-12(9(7-10)5-6-18)19(11-2-3-11)8-13(15,16)17/h1,4,7,11H,2-3,5-6,8,18H2
InChIKeyYNPRJGCDPRNJEL-UHFFFAOYSA-N
XLogP2.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-propylaniline
CID 55234833
1-N-cyclopropyl-2-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine
CID 55011299
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5-fluorobenzoic acid
CID 55010433
N-[2-(2-aminoethyl)-4-fluorophenyl]-N-methyloxolan-3-amine
CID 82753960
4-bromo-2-N-cyclopropyl-5-fluoro-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 116735744
1-[4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-fluorophenyl]ethanone
CID 55010756
2-(bromomethyl)-N-cyclopropyl-N-ethyl-4-fluoroaniline
CID 107079822
2-(aminomethyl)-N-cyclohexyl-N-ethyl-4-fluoroaniline
CID 43313792
4-(aminomethyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 62128950
5-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]benzonitrile
CID 62492568
2-[(1S)-1-aminoethyl]-N-cyclopropyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 55189954
2-[2-(aminomethyl)-N-cyclopentyl-4-fluoroanilino]acetamide
CID 54989142

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline (CID 55236190) is 2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline is NCCc1cc(F)ccc1N(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is YNPRJGCDPRNJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2/c14-10-1-4-12(9(7-10)5-6-18)19(11-2-3-11)8-13(15,16)17/h1,4,7,11H,2-3,5-6,8,18H2.
What are the key properties of 2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline?
2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 276.28 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 55236190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).