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

C14H20BrF3N2 — CID 82968783

IUPAC5-bromo-2-[1-(methylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCCCN(CC(F)(F)F)c1cc(Br)ccc1C(C)NC
InChIInChI=1S/C14H20BrF3N2/c1-4-7-20(9-14(16,17)18)13-8-11(15)5-6-12(13)10(2)19-3/h5-6,8,10,19H,4,7,9H2,1-3H3
InChIKeyQYWIXCKSGFICKQ-UHFFFAOYSA-N
MW353.23 g/mol
LogP4.51
Rot. Bonds6

About 5-bromo-2-[1-(methylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline

5-bromo-2-[1-(methylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 82968783) has the molecular formula C14H20BrF3N2 and a molecular weight of 353.23 g/mol. Its IUPAC name is 5-bromo-2-[1-(methylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name5-bromo-2-[1-(methylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline
PubChem CID82968783
Molecular FormulaC14H20BrF3N2
Molecular Weight353.23 g/mol
Exact Mass352.08
IUPAC Name5-bromo-2-[1-(methylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCCCN(CC(F)(F)F)c1cc(Br)ccc1C(C)NC
InChIInChI=1S/C14H20BrF3N2/c1-4-7-20(9-14(16,17)18)13-8-11(15)5-6-12(13)10(2)19-3/h5-6,8,10,19H,4,7,9H2,1-3H3
InChIKeyQYWIXCKSGFICKQ-UHFFFAOYSA-N
XLogP4.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-ethyl-2-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)aniline
CID 82968573
5-bromo-2-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 63566929
2-[5-bromo-2-[1-(ethylamino)ethyl]-N-propylanilino]ethanol
CID 82971735
5-bromo-N,N-diethyl-2-[1-(ethylamino)ethyl]aniline
CID 82971768
5-bromo-2-[propyl(2,2,2-trifluoroethyl)amino]benzonitrile
CID 114890593
5-bromo-2-[(cyclopropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 63553253
5-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-(4-methylpentan-2-yl)aniline
CID 82968358
2-[1-(methylamino)propyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 115995093
2-[2-(1-aminoethyl)-4-bromo-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107480596
2-(1-aminoethyl)-5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 82971346
5-bromo-N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 82954421
2-(2-aminopropyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 63795586

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[1-(methylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 5-bromo-2-[1-(methylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline (CID 82968783) is 5-bromo-2-[1-(methylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 5-bromo-2-[1-(methylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 5-bromo-2-[1-(methylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline is CCCN(CC(F)(F)F)c1cc(Br)ccc1C(C)NC.
What is the InChIKey of 5-bromo-2-[1-(methylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is QYWIXCKSGFICKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrF3N2/c1-4-7-20(9-14(16,17)18)13-8-11(15)5-6-12(13)10(2)19-3/h5-6,8,10,19H,4,7,9H2,1-3H3.
What are the key properties of 5-bromo-2-[1-(methylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
5-bromo-2-[1-(methylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 353.23 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[1-(methylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 82968783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).