1-(4-bromo-3-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine

C15H12BrF4N — CID 78982782

IUPAC1-(4-bromo-3-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
SMILESFc1cc(CNCc2ccccc2C(F)(F)F)ccc1Br
InChIInChI=1S/C15H12BrF4N/c16-13-6-5-10(7-14(13)17)8-21-9-11-3-1-2-4-12(11)15(18,19)20/h1-7,21H,8-9H2
InChIKeyKVPYRDDIMYHBPV-UHFFFAOYSA-N
MW362.16 g/mol
LogP4.90
Rot. Bonds4

About 1-(4-bromo-3-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine

1-(4-bromo-3-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine (PubChem CID 78982782) has the molecular formula C15H12BrF4N and a molecular weight of 362.16 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
PubChem CID78982782
Molecular FormulaC15H12BrF4N
Molecular Weight362.16 g/mol
Exact Mass361.01
IUPAC Name1-(4-bromo-3-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
SMILESFc1cc(CNCc2ccccc2C(F)(F)F)ccc1Br
InChIInChI=1S/C15H12BrF4N/c16-13-6-5-10(7-14(13)17)8-21-9-11-3-1-2-4-12(11)15(18,19)20/h1-7,21H,8-9H2
InChIKeyKVPYRDDIMYHBPV-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

1-(3-chloro-4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 60615965
1-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 834369
1-(1,3-benzodioxol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 3769404
N-[(5-bromo-3-pyridinyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 104796903
N-[(3,5-dimethylphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62048755
N-[(3,5-dichlorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62048756
1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride
CID 17332531
N-[(2,6-difluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62049514
N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)methanamine
CID 78981347
N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
CID 60701425
N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-chlorophenyl)methanamine
CID 78981330
N-(1H-pyrazol-4-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 54897524

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine (CID 78982782) is 1-(4-bromo-3-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine is Fc1cc(CNCc2ccccc2C(F)(F)F)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
The InChIKey is KVPYRDDIMYHBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF4N/c16-13-6-5-10(7-14(13)17)8-21-9-11-3-1-2-4-12(11)15(18,19)20/h1-7,21H,8-9H2.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
1-(4-bromo-3-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]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 1-(4-bromo-3-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 78982782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).