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

C16H15BrF3N — CID 43221563

IUPACN-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCc1cccc(Br)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15BrF3N/c1-11(21-10-12-4-2-7-15(17)8-12)13-5-3-6-14(9-13)16(18,19)20/h2-9,11,21H,10H2,1H3
InChIKeyQWUVKHNCBWAUHJ-UHFFFAOYSA-N
MW358.20 g/mol
LogP5.32
Rot. Bonds4

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

N-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 43221563) has the molecular formula C16H15BrF3N and a molecular weight of 358.20 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID43221563
Molecular FormulaC16H15BrF3N
Molecular Weight358.20 g/mol
Exact Mass357.03
IUPAC NameN-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCc1cccc(Br)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15BrF3N/c1-11(21-10-12-4-2-7-15(17)8-12)13-5-3-6-14(9-13)16(18,19)20/h2-9,11,21H,10H2,1H3
InChIKeyQWUVKHNCBWAUHJ-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

Analyze N-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-bromophenyl)methyl]-1-phenylethanamine
CID 2756844
N-[(4-bromothiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43223829
N-[(3-bromophenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 43221580
1-(3-bromo-4-fluorophenyl)-N-[(3-bromophenyl)methyl]ethanamine
CID 61401322
N-[(1S)-1-(3-bromophenyl)ethyl]-2,2-difluoro-2-phenylethanamine
CID 104893366
(1S)-N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81349778
1-[3-(trifluoromethyl)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 78805305
2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]phenol
CID 43723801
3-[[1-(3-bromophenyl)ethylamino]methyl]benzoic acid
CID 103241329
(1R)-N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 28645148
(1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine
CID 81437241
N-[1-(3-bromophenyl)ethyl]-2,2,2-trifluoroethanamine
CID 24697682

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 43221563) is N-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine is CC(NCc1cccc(Br)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is QWUVKHNCBWAUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF3N/c1-11(21-10-12-4-2-7-15(17)8-12)13-5-3-6-14(9-13)16(18,19)20/h2-9,11,21H,10H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
N-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]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 N-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 43221563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).