N-methyl-1-(3-methyl-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]methanamine

C15H15F3N2O — CID 62916892

IUPACN-methyl-1-(3-methyl-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]methanamine
SMILESCNC(c1cccc(OC(F)(F)F)c1)c1ncccc1C
InChIInChI=1S/C15H15F3N2O/c1-10-5-4-8-20-13(10)14(19-2)11-6-3-7-12(9-11)21-15(16,17)18/h3-9,14,19H,1-2H3
InChIKeyUWSLAWCWULWDBG-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.60
Rot. Bonds4

About N-methyl-1-(3-methyl-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]methanamine

N-methyl-1-(3-methyl-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]methanamine (PubChem CID 62916892) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]methanamine
PubChem CID62916892
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC NameN-methyl-1-(3-methyl-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]methanamine
SMILESCNC(c1cccc(OC(F)(F)F)c1)c1ncccc1C
InChIInChI=1S/C15H15F3N2O/c1-10-5-4-8-20-13(10)14(19-2)11-6-3-7-12(9-11)21-15(16,17)18/h3-9,14,19H,1-2H3
InChIKeyUWSLAWCWULWDBG-UHFFFAOYSA-N
XLogP3.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-pyridinyl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine
CID 103444046
N-methyl-1-(3-methyl-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 62789882
N-methyl-1-phenyl-1-[3-(trifluoromethoxy)phenyl]methanamine
CID 62916540
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]methanamine
CID 105145906
N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-propylphenyl)methanamine
CID 116544148
1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine
CID 107560238
1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine
CID 79697755
N-[pyrazin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 62917910
N-methyl-1-(3-methyl-2-pyridinyl)-1-(4-propoxyphenyl)methanamine
CID 62796820
1-(2-bromofuran-3-yl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine
CID 106857562
1-(3-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104515256
(2-methyl-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 106756192

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of N-methyl-1-(3-methyl-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]methanamine (CID 62916892) is N-methyl-1-(3-methyl-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-(3-methyl-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for N-methyl-1-(3-methyl-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]methanamine is CNC(c1cccc(OC(F)(F)F)c1)c1ncccc1C.
What is the InChIKey of N-methyl-1-(3-methyl-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is UWSLAWCWULWDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-10-5-4-8-20-13(10)14(19-2)11-6-3-7-12(9-11)21-15(16,17)18/h3-9,14,19H,1-2H3.
What are the key properties of N-methyl-1-(3-methyl-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]methanamine?
N-methyl-1-(3-methyl-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 296.29 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 62916892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).