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

C14H12BrF3N2 — CID 104796903

IUPACN-[(5-bromo-3-pyridinyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1ccccc1CNCc1cncc(Br)c1
InChIInChI=1S/C14H12BrF3N2/c15-12-5-10(7-20-9-12)6-19-8-11-3-1-2-4-13(11)14(16,17)18/h1-5,7,9,19H,6,8H2
InChIKeyLKEUEKKLLMGUQY-UHFFFAOYSA-N
MW345.16 g/mol
LogP4.15
Rot. Bonds4

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

N-[(5-bromo-3-pyridinyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 104796903) has the molecular formula C14H12BrF3N2 and a molecular weight of 345.16 g/mol. Its IUPAC name is N-[(5-bromo-3-pyridinyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(5-bromo-3-pyridinyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID104796903
Molecular FormulaC14H12BrF3N2
Molecular Weight345.16 g/mol
Exact Mass344.01
IUPAC NameN-[(5-bromo-3-pyridinyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1ccccc1CNCc1cncc(Br)c1
InChIInChI=1S/C14H12BrF3N2/c15-12-5-10(7-20-9-12)6-19-8-11-3-1-2-4-13(11)14(16,17)18/h1-5,7,9,19H,6,8H2
InChIKeyLKEUEKKLLMGUQY-UHFFFAOYSA-N
XLogP4.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.16
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-pyridin-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 18778355
N-[(3,5-dichlorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62048756
1-(4-bromo-3-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 78982782
N-[(3,5-dimethylphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62048755
N-(1H-pyrazol-4-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 54897524
N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-bromo-3-pyridinyl)methanamine
CID 113454135
1-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 834369
1-(furan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 60980661
N-[(5-bromo-3-pyridinyl)methyl]-1-pyridin-4-ylmethanamine
CID 115745327
1-(1,2-oxazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 79494954
1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride
CID 17332531
N-[(5-bromo-3-pyridinyl)methyl]-4-chloro-2-(trifluoromethyl)aniline
CID 104796648

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine (CID 104796903) is N-[(5-bromo-3-pyridinyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[(5-bromo-3-pyridinyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[(5-bromo-3-pyridinyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine is FC(F)(F)c1ccccc1CNCc1cncc(Br)c1.
What is the InChIKey of N-[(5-bromo-3-pyridinyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is LKEUEKKLLMGUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF3N2/c15-12-5-10(7-20-9-12)6-19-8-11-3-1-2-4-13(11)14(16,17)18/h1-5,7,9,19H,6,8H2.
What are the key properties of N-[(5-bromo-3-pyridinyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
N-[(5-bromo-3-pyridinyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 345.16 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-pyridinyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 104796903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).