N-[(5-methyl-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine

C15H15F3N2 — CID 103864336

IUPACN-[(5-methyl-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCc1cncc(CNCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H15F3N2/c1-11-6-13(9-19-7-11)10-20-8-12-2-4-14(5-3-12)15(16,17)18/h2-7,9,20H,8,10H2,1H3
InChIKeyIJITUJSUKPLYAY-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.70
Rot. Bonds4

About N-[(5-methyl-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine

N-[(5-methyl-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 103864336) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-[(5-methyl-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(5-methyl-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID103864336
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC NameN-[(5-methyl-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCc1cncc(CNCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H15F3N2/c1-11-6-13(9-19-7-11)10-20-8-12-2-4-14(5-3-12)15(16,17)18/h2-7,9,20H,8,10H2,1H3
InChIKeyIJITUJSUKPLYAY-UHFFFAOYSA-N
XLogP3.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
4,4,4-trifluoro-N-[(5-methyl-3-pyridinyl)methyl]butan-1-amine
CID 102880995
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60702122
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 86776389
N-[(3-chloro-4-methylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 106816801
3-chloro-N-[(5-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)aniline
CID 102881103
1-[4-(trifluoromethyl)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]methanamine
CID 169111944
4-methyl-N-[(5-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)aniline
CID 102880807
N-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 29042343
N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
CID 21271666
N-[(4-methylsulfanylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60699641
N-[(3,5-dichlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 61037564

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[(5-methyl-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine (CID 103864336) is N-[(5-methyl-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[(5-methyl-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[(5-methyl-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine is Cc1cncc(CNCc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-[(5-methyl-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is IJITUJSUKPLYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c1-11-6-13(9-19-7-11)10-20-8-12-2-4-14(5-3-12)15(16,17)18/h2-7,9,20H,8,10H2,1H3.
What are the key properties of N-[(5-methyl-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
N-[(5-methyl-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 280.29 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 103864336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).