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

C15H15F3N2O — CID 43195719

IUPACN-(pyridin-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
SMILESCC(NCc1ccccn1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O/c1-11(20-10-13-4-2-3-9-19-13)12-5-7-14(8-6-12)21-15(16,17)18/h2-9,11,20H,10H2,1H3
InChIKeyHJTPTDLQLWVDHV-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.83
Rot. Bonds5

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

N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 43195719) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
PubChem CID43195719
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC NameN-(pyridin-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
SMILESCC(NCc1ccccn1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O/c1-11(20-10-13-4-2-3-9-19-13)12-5-7-14(8-6-12)21-15(16,17)18/h2-9,11,20H,10H2,1H3
InChIKeyHJTPTDLQLWVDHV-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

N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43195718
1-(4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43195697
(1R)-1-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28647890
N-methyl-2-pyridin-2-yl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 116628886
(1S)-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28564761
1-(4-bromophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43178958
2-(pyridin-2-ylmethylsulfanyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 55825302
N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 24697408
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 103913010
2-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 43190379
4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pentan-1-amine
CID 63452559
2-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28579124

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethanamine (CID 43195719) is N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethanamine is CC(NCc1ccccn1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is HJTPTDLQLWVDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-11(20-10-13-4-2-3-9-19-13)12-5-7-14(8-6-12)21-15(16,17)18/h2-9,11,20H,10H2,1H3.
What are the key properties of N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethanamine?
N-(pyridin-2-ylmethyl)-1-[4-(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-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 43195719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).