2-(1-aminoethyl)-5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline

C11H14BrF3N2 — CID 82971346

IUPAC2-(1-aminoethyl)-5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCC(N)c1ccc(Br)cc1N(C)CC(F)(F)F
InChIInChI=1S/C11H14BrF3N2/c1-7(16)9-4-3-8(12)5-10(9)17(2)6-11(13,14)15/h3-5,7H,6,16H2,1-2H3
InChIKeyOVYFERYMDVKHGQ-UHFFFAOYSA-N
MW311.15 g/mol
LogP3.47
Rot. Bonds3

About 2-(1-aminoethyl)-5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline

2-(1-aminoethyl)-5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 82971346) has the molecular formula C11H14BrF3N2 and a molecular weight of 311.15 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline
PubChem CID82971346
Molecular FormulaC11H14BrF3N2
Molecular Weight311.15 g/mol
Exact Mass310.03
IUPAC Name2-(1-aminoethyl)-5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCC(N)c1ccc(Br)cc1N(C)CC(F)(F)F
InChIInChI=1S/C11H14BrF3N2/c1-7(16)9-4-3-8(12)5-10(9)17(2)6-11(13,14)15/h3-5,7H,6,16H2,1-2H3
InChIKeyOVYFERYMDVKHGQ-UHFFFAOYSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminoethyl)-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline
CID 82968921
5-bromo-N,2-dimethyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257817
5-bromo-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257749
2-(aminomethyl)-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 114889509
2-(1-aminoethyl)-5-bromo-N-[(3-bromophenyl)methyl]-N-methylaniline
CID 82972205
2-[2-(1-aminoethyl)-4-bromo-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107480596
(1R)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine
CID 102946643
2-(1-aminoethyl)-5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 112660582
2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 82968110
2-(2-aminopropyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 63795586
2-(1-aminoethyl)-5-bromo-N-tert-butyl-N-prop-2-enylaniline
CID 82968827
2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-methylphenyl)aniline
CID 82968647

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 2-(1-aminoethyl)-5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline (CID 82971346) is 2-(1-aminoethyl)-5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 2-(1-aminoethyl)-5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 2-(1-aminoethyl)-5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline is CC(N)c1ccc(Br)cc1N(C)CC(F)(F)F.
What is the InChIKey of 2-(1-aminoethyl)-5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is OVYFERYMDVKHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF3N2/c1-7(16)9-4-3-8(12)5-10(9)17(2)6-11(13,14)15/h3-5,7H,6,16H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline?
2-(1-aminoethyl)-5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 311.15 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 82971346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).