1-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanamine

C15H13BrF3N — CID 62787298

IUPAC1-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCC(N)(c1cccc(C(F)(F)F)c1)c1ccccc1Br
InChIInChI=1S/C15H13BrF3N/c1-14(20,12-7-2-3-8-13(12)16)10-5-4-6-11(9-10)15(17,18)19/h2-9H,20H2,1H3
InChIKeyJQEFFACXSBQECA-UHFFFAOYSA-N
MW344.17 g/mol
LogP4.69
Rot. Bonds2

About 1-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanamine

1-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 62787298) has the molecular formula C15H13BrF3N and a molecular weight of 344.17 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID62787298
Molecular FormulaC15H13BrF3N
Molecular Weight344.17 g/mol
Exact Mass343.02
IUPAC Name1-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCC(N)(c1cccc(C(F)(F)F)c1)c1ccccc1Br
InChIInChI=1S/C15H13BrF3N/c1-14(20,12-7-2-3-8-13(12)16)10-5-4-6-11(9-10)15(17,18)19/h2-9H,20H2,1H3
InChIKeyJQEFFACXSBQECA-UHFFFAOYSA-N
XLogP4.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62787303
1-(2-bromophenyl)-1-(2-fluorophenyl)ethanamine
CID 62500949
2-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 65145345
1-(2-bromophenyl)-1-quinolin-6-ylethanamine
CID 81216742
1-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanamine
CID 81197983
1-bromo-2-tert-butyl-4-(trifluoromethyl)benzene
CID 145078321
(2R)-2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 66678514
1-(2-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 82807426
2-(2-bromophenyl)-1-(3-fluorophenyl)propan-2-amine
CID 60799082
1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)ethanamine
CID 79595826
1-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62787446
(2-bromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 43825139

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 62787298) is 1-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanamine is CC(N)(c1cccc(C(F)(F)F)c1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is JQEFFACXSBQECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3N/c1-14(20,12-7-2-3-8-13(12)16)10-5-4-6-11(9-10)15(17,18)19/h2-9H,20H2,1H3.
What are the key properties of 1-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
1-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 344.17 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 62787298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).