N-[(2-bromo-5-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine

C15H12BrF4N — CID 29275138

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESFc1ccc(Br)c(CNCc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H12BrF4N/c16-14-5-4-13(17)7-11(14)9-21-8-10-2-1-3-12(6-10)15(18,19)20/h1-7,21H,8-9H2
InChIKeyMOAFCSHGGNMKDC-UHFFFAOYSA-N
MW362.16 g/mol
LogP4.90
Rot. Bonds4

About N-[(2-bromo-5-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine

N-[(2-bromo-5-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 29275138) has the molecular formula C15H12BrF4N and a molecular weight of 362.16 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID29275138
Molecular FormulaC15H12BrF4N
Molecular Weight362.16 g/mol
Exact Mass361.01
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESFc1ccc(Br)c(CNCc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H12BrF4N/c16-14-5-4-13(17)7-11(14)9-21-8-10-2-1-3-12(6-10)15(18,19)20/h1-7,21H,8-9H2
InChIKeyMOAFCSHGGNMKDC-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.16
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-fluoro-2-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 119160611
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3,5-difluorophenyl)methanamine
CID 115767644
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-nitrophenyl)methanamine
CID 60962410
N-[(3-bromo-4-chlorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 83232273
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
4-[[(2-bromo-5-fluorophenyl)methylamino]methyl]benzene-1,2-diol
CID 54893715
1-[3-(trifluoromethyl)phenyl]-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 134015070
1-(3-bromo-5-fluorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]methanamine
CID 79710689
1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol
CID 134033677
N-(1H-pyrrol-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 55021234
N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
CID 115967971

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine (CID 29275138) is N-[(2-bromo-5-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine is Fc1ccc(Br)c(CNCc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is MOAFCSHGGNMKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF4N/c16-14-5-4-13(17)7-11(14)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-[(2-bromo-5-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
N-[(2-bromo-5-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 362.16 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 29275138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).