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

C13H18BrF3N2 — CID 82968921

IUPAC2-(1-aminoethyl)-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline
SMILESCC(N)c1ccc(Br)cc1N(CC(F)(F)F)C(C)C
InChIInChI=1S/C13H18BrF3N2/c1-8(2)19(7-13(15,16)17)12-6-10(14)4-5-11(12)9(3)18/h4-6,8-9H,7,18H2,1-3H3
InChIKeyKUEUXQZFSNFRNA-UHFFFAOYSA-N
MW339.20 g/mol
LogP4.25
Rot. Bonds4

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

2-(1-aminoethyl)-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 82968921) has the molecular formula C13H18BrF3N2 and a molecular weight of 339.20 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline
PubChem CID82968921
Molecular FormulaC13H18BrF3N2
Molecular Weight339.20 g/mol
Exact Mass338.06
IUPAC Name2-(1-aminoethyl)-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline
SMILESCC(N)c1ccc(Br)cc1N(CC(F)(F)F)C(C)C
InChIInChI=1S/C13H18BrF3N2/c1-8(2)19(7-13(15,16)17)12-6-10(14)4-5-11(12)9(3)18/h4-6,8-9H,7,18H2,1-3H3
InChIKeyKUEUXQZFSNFRNA-UHFFFAOYSA-N
XLogP4.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminoethyl)-5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 82971346
2-(1-aminoethyl)-5-bromo-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 82968396
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
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 62690862
2-(1-aminoethyl)-5-bromo-N-tert-butyl-N-prop-2-enylaniline
CID 82968827
2-(2-aminopropyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 63795586
4-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)benzene-1,3-diamine
CID 62590706
2-(1-aminoethyl)-5-bromo-N-[(3-bromophenyl)methyl]-N-methylaniline
CID 82972205
2-(1-aminoethyl)-5-bromo-N-ethyl-N-(2-methylbutyl)aniline
CID 82968747
2-(1-aminoethyl)-5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 112660582
2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82968759

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 2-(1-aminoethyl)-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline (CID 82968921) is 2-(1-aminoethyl)-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 2-(1-aminoethyl)-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 2-(1-aminoethyl)-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline is CC(N)c1ccc(Br)cc1N(CC(F)(F)F)C(C)C.
What is the InChIKey of 2-(1-aminoethyl)-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is KUEUXQZFSNFRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrF3N2/c1-8(2)19(7-13(15,16)17)12-6-10(14)4-5-11(12)9(3)18/h4-6,8-9H,7,18H2,1-3H3.
What are the key properties of 2-(1-aminoethyl)-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline?
2-(1-aminoethyl)-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 339.20 g/mol, XLogP of 4.25, 4 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-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 82968921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).