N-methyl-2-pyridin-2-yl-1-[4-(trifluoromethoxy)phenyl]ethanamine

C15H15F3N2O — CID 116628886

IUPACN-methyl-2-pyridin-2-yl-1-[4-(trifluoromethoxy)phenyl]ethanamine
SMILESCNC(Cc1ccccn1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O/c1-19-14(10-12-4-2-3-9-20-12)11-5-7-13(8-6-11)21-15(16,17)18/h2-9,14,19H,10H2,1H3
InChIKeyPTUXRBMSUVEXKH-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.48
Rot. Bonds5

About N-methyl-2-pyridin-2-yl-1-[4-(trifluoromethoxy)phenyl]ethanamine

N-methyl-2-pyridin-2-yl-1-[4-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 116628886) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is N-methyl-2-pyridin-2-yl-1-[4-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-pyridin-2-yl-1-[4-(trifluoromethoxy)phenyl]ethanamine
PubChem CID116628886
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC NameN-methyl-2-pyridin-2-yl-1-[4-(trifluoromethoxy)phenyl]ethanamine
SMILESCNC(Cc1ccccn1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O/c1-19-14(10-12-4-2-3-9-20-12)11-5-7-13(8-6-11)21-15(16,17)18/h2-9,14,19H,10H2,1H3
InChIKeyPTUXRBMSUVEXKH-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62789836
N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 43195719
(1R)-N-methyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 141191403
1-(3,5-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine
CID 54936986
1-(4-ethoxyphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105140831
N-ethyl-2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62790871
2-(pyridin-2-ylmethylsulfanyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 55825302
2-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28579124
N-methyl-1-(2-methylphenyl)-2-pyridin-2-ylethanamine
CID 60818162
1-(2,3-difluoro-4-methylphenyl)-N-methyl-2-pyridin-2-ylethanamine
CID 107513169
2-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine
CID 68630973
(1S)-N-ethyl-1-phenyl-2-pyridin-2-ylethanamine
CID 129365604

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyridin-2-yl-1-[4-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of N-methyl-2-pyridin-2-yl-1-[4-(trifluoromethoxy)phenyl]ethanamine (CID 116628886) is N-methyl-2-pyridin-2-yl-1-[4-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for N-methyl-2-pyridin-2-yl-1-[4-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for N-methyl-2-pyridin-2-yl-1-[4-(trifluoromethoxy)phenyl]ethanamine is CNC(Cc1ccccn1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-methyl-2-pyridin-2-yl-1-[4-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is PTUXRBMSUVEXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-19-14(10-12-4-2-3-9-20-12)11-5-7-13(8-6-11)21-15(16,17)18/h2-9,14,19H,10H2,1H3.
What are the key properties of N-methyl-2-pyridin-2-yl-1-[4-(trifluoromethoxy)phenyl]ethanamine?
N-methyl-2-pyridin-2-yl-1-[4-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 296.29 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyridin-2-yl-1-[4-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 116628886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).