N-[(3-bromo-4-chlorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine

C15H12BrClF3N — CID 83232273

IUPACN-[(3-bromo-4-chlorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1cccc(CNCc2ccc(Cl)c(Br)c2)c1
InChIInChI=1S/C15H12BrClF3N/c16-13-7-11(4-5-14(13)17)9-21-8-10-2-1-3-12(6-10)15(18,19)20/h1-7,21H,8-9H2
InChIKeyXCSKQFHQQPRXBL-UHFFFAOYSA-N
MW378.62 g/mol
LogP5.41
Rot. Bonds4

About N-[(3-bromo-4-chlorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine

N-[(3-bromo-4-chlorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 83232273) has the molecular formula C15H12BrClF3N and a molecular weight of 378.62 g/mol. Its IUPAC name is N-[(3-bromo-4-chlorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-chlorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID83232273
Molecular FormulaC15H12BrClF3N
Molecular Weight378.62 g/mol
Exact Mass376.98
IUPAC NameN-[(3-bromo-4-chlorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1cccc(CNCc2ccc(Cl)c(Br)c2)c1
InChIInChI=1S/C15H12BrClF3N/c16-13-7-11(4-5-14(13)17)9-21-8-10-2-1-3-12(6-10)15(18,19)20/h1-7,21H,8-9H2
InChIKeyXCSKQFHQQPRXBL-UHFFFAOYSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.62
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 105400992
N-[(3-chloro-2-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 115656673
N-[(2-bromo-5-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 29275138
N-[(3-bromophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60700066
1-[4-(trifluoromethoxy)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 55464693
2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 28521330
N-(1H-pyrrol-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 55021234
N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 1460717
1,1-bis(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol;hydrochloride
CID 138111629
1-(bromomethyl)-3-(trifluoromethyl)benzene;1-(bromomethyl)-4-(trifluoromethyl)benzene
CID 162007263
N-[[3-chloro-4-(2-methoxypropan-2-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 69342163
N-[(3-bromo-4-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine
CID 83232246

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-chlorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[(3-bromo-4-chlorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine (CID 83232273) is N-[(3-bromo-4-chlorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[(3-bromo-4-chlorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[(3-bromo-4-chlorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine is FC(F)(F)c1cccc(CNCc2ccc(Cl)c(Br)c2)c1.
What is the InChIKey of N-[(3-bromo-4-chlorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is XCSKQFHQQPRXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClF3N/c16-13-7-11(4-5-14(13)17)9-21-8-10-2-1-3-12(6-10)15(18,19)20/h1-7,21H,8-9H2.
What are the key properties of N-[(3-bromo-4-chlorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
N-[(3-bromo-4-chlorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 378.62 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-chlorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 83232273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).