N-(pyridin-3-ylmethyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine

C15H15F3N2O — CID 75495399

IUPACN-(pyridin-3-ylmethyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine
SMILESCC(NCc1cccnc1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H15F3N2O/c1-11(20-10-12-5-4-8-19-9-12)13-6-2-3-7-14(13)21-15(16,17)18/h2-9,11,20H,10H2,1H3
InChIKeyXWFRXXNXSJLRIP-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.83
Rot. Bonds5

About N-(pyridin-3-ylmethyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine

N-(pyridin-3-ylmethyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 75495399) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine
PubChem CID75495399
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC NameN-(pyridin-3-ylmethyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine
SMILESCC(NCc1cccnc1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H15F3N2O/c1-11(20-10-12-5-4-8-19-9-12)13-6-2-3-7-14(13)21-15(16,17)18/h2-9,11,20H,10H2,1H3
InChIKeyXWFRXXNXSJLRIP-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 43182272
N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 155606933
(1R)-1-(2-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28624444
6,6,6-trifluoro-N-(pyridin-3-ylmethyl)hexan-2-amine
CID 116534120
(1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 28670989
1-(2-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60895907
N-ethyl-1-[2-(pyridin-3-ylmethyl)phenyl]ethanamine
CID 104736901
(2S,3S)-3-methyl-N-(pyridin-3-ylmethyl)pentan-2-amine
CID 28672035
1-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 78950275
1-(5-fluoro-3-pyridinyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 103775385
1-(2-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one
CID 82101045
N-[(5-bromo-3-pyridinyl)methyl]-1-[2-(difluoromethoxy)phenyl]ethanamine
CID 115900140

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of N-(pyridin-3-ylmethyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine (CID 75495399) is N-(pyridin-3-ylmethyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for N-(pyridin-3-ylmethyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine is CC(NCc1cccnc1)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-(pyridin-3-ylmethyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is XWFRXXNXSJLRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-11(20-10-12-5-4-8-19-9-12)13-6-2-3-7-14(13)21-15(16,17)18/h2-9,11,20H,10H2,1H3.
What are the key properties of N-(pyridin-3-ylmethyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine?
N-(pyridin-3-ylmethyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 296.29 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 75495399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).