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

C15H15F3N2O — CID 79782023

IUPACN-methyl-1-[5-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanamine
SMILESCNCc1ccc(OCc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C15H15F3N2O/c1-19-8-13-5-6-14(9-20-13)21-10-11-3-2-4-12(7-11)15(16,17)18/h2-7,9,19H,8,10H2,1H3
InChIKeyWEAXNYVSOPYHKM-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.40
Rot. Bonds5

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

N-methyl-1-[5-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanamine (PubChem CID 79782023) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is N-methyl-1-[5-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanamine
PubChem CID79782023
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC NameN-methyl-1-[5-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanamine
SMILESCNCc1ccc(OCc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C15H15F3N2O/c1-19-8-13-5-6-14(9-20-13)21-10-11-3-2-4-12(7-11)15(16,17)18/h2-7,9,19H,8,10H2,1H3
InChIKeyWEAXNYVSOPYHKM-UHFFFAOYSA-N
XLogP3.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 105402628
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627887
1-[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 107879633
N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen
CID 145483676
N-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 62338555
1-[5-[(4-bromophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 79775958
N-[[3-(trifluoromethyl)phenyl]methoxy]methanamine
CID 22356645
1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 79776321
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]propan-1-amine;hydrochloride
CID 139814631
2-methyl-3-(methylamino)-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propanamide;hydrochloride
CID 119773685

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[5-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanamine (CID 79782023) is N-methyl-1-[5-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[5-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanamine is CNCc1ccc(OCc2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of N-methyl-1-[5-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanamine?
The InChIKey is WEAXNYVSOPYHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-19-8-13-5-6-14(9-20-13)21-10-11-3-2-4-12(7-11)15(16,17)18/h2-7,9,19H,8,10H2,1H3.
What are the key properties of N-methyl-1-[5-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanamine?
N-methyl-1-[5-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanamine has a molecular weight of 296.29 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanamine is sourced from PubChem (CID 79782023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).