1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine

C16H15BrF3N — CID 43079351

IUPAC1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCC(NCc1cccc(C(F)(F)F)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrF3N/c1-11(13-5-7-15(17)8-6-13)21-10-12-3-2-4-14(9-12)16(18,19)20/h2-9,11,21H,10H2,1H3
InChIKeyDCIVNTAUNJDLGW-UHFFFAOYSA-N
MW358.20 g/mol
LogP5.32
Rot. Bonds4

About 1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine

1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 43079351) has the molecular formula C16H15BrF3N and a molecular weight of 358.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID43079351
Molecular FormulaC16H15BrF3N
Molecular Weight358.20 g/mol
Exact Mass357.03
IUPAC Name1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCC(NCc1cccc(C(F)(F)F)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrF3N/c1-11(13-5-7-15(17)8-6-13)21-10-12-3-2-4-14(9-12)16(18,19)20/h2-9,11,21H,10H2,1H3
InChIKeyDCIVNTAUNJDLGW-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.20
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-Bromophenyl)(phenyl)methyl]piperazine
CID 3704699
[2-(4-Bromo-phenyl)-1-methyl-ethyl]-(3-phenyl-propyl)-amine
CID 15061898
N-(4-bromobenzyl)-N-(4-fluorobenzyl)amine
CID 834418
Phenethylamine, N-benzyl-alpha-methyl-m-trifluoromethyl-
CID 3046410
N-benzyl-1-(4-bromophenyl)methanamine
CID 3876431
2-(4-Bromophenyl)pyrrolidine
CID 4281494
N,N-Bis(4-bromobenzyl)amine
CID 10601487
trans-(1S,2R)-N-[(4-bromo-2-fluorophenyl)methyl]-2-phenylcyclopropan-1-amine
CID 145981420
trans-(1S,2R)-N-[(4-bromophenyl)methyl]-2-phenylcyclopropan-1-amine
CID 145987759
N-(4-bromobenzyl)-N-[2-(4-fluorophenyl)ethyl]amine
CID 1825359
Benzenemethanamine, 4-bromo-N-butyl-
CID 485403
[(4-Bromophenyl)methyl](pentyl)amine
CID 1814799

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine (CID 43079351) is 1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine is CC(NCc1cccc(C(F)(F)F)c1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is DCIVNTAUNJDLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF3N/c1-11(13-5-7-15(17)8-6-13)21-10-12-3-2-4-14(9-12)16(18,19)20/h2-9,11,21H,10H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 358.20 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 43079351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).