2-(2-aminopropyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline

C13H18BrF3N2 — CID 63795586

IUPAC2-(2-aminopropyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCCN(CC(F)(F)F)c1cc(Br)ccc1CC(C)N
InChIInChI=1S/C13H18BrF3N2/c1-3-19(8-13(15,16)17)12-7-11(14)5-4-10(12)6-9(2)18/h4-5,7,9H,3,6,8,18H2,1-2H3
InChIKeyCVNSTIHZACWUQF-UHFFFAOYSA-N
MW339.20 g/mol
LogP3.73
Rot. Bonds5

About 2-(2-aminopropyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline

2-(2-aminopropyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 63795586) has the molecular formula C13H18BrF3N2 and a molecular weight of 339.20 g/mol. Its IUPAC name is 2-(2-aminopropyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
PubChem CID63795586
Molecular FormulaC13H18BrF3N2
Molecular Weight339.20 g/mol
Exact Mass338.06
IUPAC Name2-(2-aminopropyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCCN(CC(F)(F)F)c1cc(Br)ccc1CC(C)N
InChIInChI=1S/C13H18BrF3N2/c1-3-19(8-13(15,16)17)12-7-11(14)5-4-10(12)6-9(2)18/h4-5,7,9H,3,6,8,18H2,1-2H3
InChIKeyCVNSTIHZACWUQF-UHFFFAOYSA-N
XLogP3.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 55008972
2-(2-aminopropyl)-5-bromo-N-ethyl-N-methylaniline
CID 63786948
2-(2-aminopropyl)-5-bromo-N-(cyclobutylmethyl)-N-ethylaniline
CID 107402418
2-(2-aminobutyl)-5-bromo-N,N-diethylaniline
CID 63787244
4-bromo-N-ethyl-2-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)aniline
CID 82968573
4-(1-aminoethyl)-2-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 62911180
5-bromo-2-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 63566929
2-(1-aminoethyl)-5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 82971346
4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(2,2,2-trifluoroethyl)aniline
CID 63795420
2-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 55010759
2-(1-aminoethyl)-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 55010761
2-(2-aminopropyl)-5-bromo-N-cyclopentyl-N-methylaniline
CID 63785627

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 2-(2-aminopropyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline (CID 63795586) is 2-(2-aminopropyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 2-(2-aminopropyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 2-(2-aminopropyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline is CCN(CC(F)(F)F)c1cc(Br)ccc1CC(C)N.
What is the InChIKey of 2-(2-aminopropyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is CVNSTIHZACWUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrF3N2/c1-3-19(8-13(15,16)17)12-7-11(14)5-4-10(12)6-9(2)18/h4-5,7,9H,3,6,8,18H2,1-2H3.
What are the key properties of 2-(2-aminopropyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline?
2-(2-aminopropyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 339.20 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 63795586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).