2-(2-bromo-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine

C15H18BrF4N — CID 105172197

IUPAC2-(2-bromo-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
SMILESNC(Cc1cccc(F)c1Br)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H18BrF4N/c16-14-10(2-1-3-12(14)17)8-13(21)9-4-6-11(7-5-9)15(18,19)20/h1-3,9,11,13H,4-8,21H2
InChIKeyJATSCQYLWUOVTA-UHFFFAOYSA-N
MW368.21 g/mol
LogP4.83
Rot. Bonds3

About 2-(2-bromo-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine

2-(2-bromo-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine (PubChem CID 105172197) has the molecular formula C15H18BrF4N and a molecular weight of 368.21 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
PubChem CID105172197
Molecular FormulaC15H18BrF4N
Molecular Weight368.21 g/mol
Exact Mass367.06
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
SMILESNC(Cc1cccc(F)c1Br)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H18BrF4N/c16-14-10(2-1-3-12(14)17)8-13(21)9-4-6-11(7-5-9)15(18,19)20/h1-3,9,11,13H,4-8,21H2
InChIKeyJATSCQYLWUOVTA-UHFFFAOYSA-N
XLogP4.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.21
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2-bromo-3-fluorophenyl)ethanamine
CID 105020628
1-(2-bromo-3-fluorophenyl)-3-cyclopropylbutan-2-amine
CID 105020612
2-(2-bromo-3-fluorophenyl)-1-(3,3-difluorocyclopentyl)ethanamine
CID 114216183
3-(2-bromo-3-fluorophenyl)-1-cyclopropylpropane-1,2-diol
CID 103456877
(2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105149474
2-(2-fluorophenyl)-1-(4-propylcyclohexyl)ethanamine
CID 65425112
2-(2-bromo-3-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 105020731
[2-(2-bromo-3-fluorophenyl)-1-cyclooctylethyl]hydrazine
CID 105255038
1-cycloheptyl-2-(2-fluorophenyl)ethanamine
CID 62590179
1-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 63528053
2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105020643
[2-(2-bromo-3-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethyl]hydrazine
CID 105234130

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine (CID 105172197) is 2-(2-bromo-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine is NC(Cc1cccc(F)c1Br)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The InChIKey is JATSCQYLWUOVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrF4N/c16-14-10(2-1-3-12(14)17)8-13(21)9-4-6-11(7-5-9)15(18,19)20/h1-3,9,11,13H,4-8,21H2.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
2-(2-bromo-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine has a molecular weight of 368.21 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 105172197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).