1-(2-methoxy-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine

C15H15F3N2O — CID 105142640

IUPAC1-(2-methoxy-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccc(C(F)(F)F)cc1)c1cccnc1OC
InChIInChI=1S/C15H15F3N2O/c1-19-13(12-4-3-9-20-14(12)21-2)10-5-7-11(8-6-10)15(16,17)18/h3-9,13,19H,1-2H3
InChIKeyNXNRLNSZMPDIRY-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.42
Rot. Bonds4

About 1-(2-methoxy-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine

1-(2-methoxy-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 105142640) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is 1-(2-methoxy-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(2-methoxy-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID105142640
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name1-(2-methoxy-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccc(C(F)(F)F)cc1)c1cccnc1OC
InChIInChI=1S/C15H15F3N2O/c1-19-13(12-4-3-9-20-14(12)21-2)10-5-7-11(8-6-10)15(16,17)18/h3-9,13,19H,1-2H3
InChIKeyNXNRLNSZMPDIRY-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluorophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105142067
1-(2-methoxy-3-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 105118973
1-(3,5-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105097099
1-(2-methoxy-3-pyridinyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 105094747
1-(2-fluoro-3-methoxyphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105174824
[(2-methoxy-3-pyridinyl)-(4-methylphenyl)methyl]hydrazine
CID 105285352
1-(4-tert-butylphenyl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
CID 105140419
(1R)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine
CID 55276659
1-(2,6-difluoro-3-methylphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105175874
1-(5-fluoro-2-methylphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105142477
1-(2-methoxy-3-pyridinyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105176174
1-(3-methoxyphenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 62791846

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 1-(2-methoxy-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine (CID 105142640) is 1-(2-methoxy-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 1-(2-methoxy-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 1-(2-methoxy-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine is CNC(c1ccc(C(F)(F)F)cc1)c1cccnc1OC.
What is the InChIKey of 1-(2-methoxy-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is NXNRLNSZMPDIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-19-13(12-4-3-9-20-14(12)21-2)10-5-7-11(8-6-10)15(16,17)18/h3-9,13,19H,1-2H3.
What are the key properties of 1-(2-methoxy-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine?
1-(2-methoxy-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 296.29 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 105142640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).