3-(ethylaminomethyl)-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline

C14H20F4N2 — CID 106532513

IUPAC3-(ethylaminomethyl)-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCCCN(CC(F)(F)F)c1cc(F)cc(CNCC)c1
InChIInChI=1S/C14H20F4N2/c1-3-5-20(10-14(16,17)18)13-7-11(9-19-4-2)6-12(15)8-13/h6-8,19H,3-5,9-10H2,1-2H3
InChIKeyYFDXIIXNLVRVDD-UHFFFAOYSA-N
MW292.32 g/mol
LogP3.71
Rot. Bonds7

About 3-(ethylaminomethyl)-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline

3-(ethylaminomethyl)-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 106532513) has the molecular formula C14H20F4N2 and a molecular weight of 292.32 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name3-(ethylaminomethyl)-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline
PubChem CID106532513
Molecular FormulaC14H20F4N2
Molecular Weight292.32 g/mol
Exact Mass292.16
IUPAC Name3-(ethylaminomethyl)-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCCCN(CC(F)(F)F)c1cc(F)cc(CNCC)c1
InChIInChI=1S/C14H20F4N2/c1-3-5-20(10-14(16,17)18)13-7-11(9-19-4-2)6-12(15)8-13/h6-8,19H,3-5,9-10H2,1-2H3
InChIKeyYFDXIIXNLVRVDD-UHFFFAOYSA-N
XLogP3.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(ethylaminomethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline
CID 106532666
N-(cyclobutylmethyl)-N-ethyl-3-(ethylaminomethyl)-5-fluoroaniline
CID 107402449
N-ethyl-4-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)aniline
CID 55009021
3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 106532725
2-(ethylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 55008675
3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 106532961
N,N-diethyl-3-fluoro-5-(methylaminomethyl)aniline
CID 106530735
3-fluoro-N-methyl-5-(methylaminomethyl)-N-propylaniline
CID 106530783
5-(ethylaminomethyl)-2-fluoro-N,N-dipropylaniline
CID 84753347
2-[4-(ethylaminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107481554
N-propyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 62282319
[3-[cyclopropylmethyl(propyl)amino]-5-fluorophenyl]methanol
CID 106529769

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 3-(ethylaminomethyl)-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline (CID 106532513) is 3-(ethylaminomethyl)-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 3-(ethylaminomethyl)-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 3-(ethylaminomethyl)-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline is CCCN(CC(F)(F)F)c1cc(F)cc(CNCC)c1.
What is the InChIKey of 3-(ethylaminomethyl)-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is YFDXIIXNLVRVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F4N2/c1-3-5-20(10-14(16,17)18)13-7-11(9-19-4-2)6-12(15)8-13/h6-8,19H,3-5,9-10H2,1-2H3.
What are the key properties of 3-(ethylaminomethyl)-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
3-(ethylaminomethyl)-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 292.32 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 106532513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).