N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine

C15H15F3N2O — CID 62291138

IUPACN-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C15H15F3N2O/c1-2-19-9-11-6-7-14(20-10-11)21-13-5-3-4-12(8-13)15(16,17)18/h3-8,10,19H,2,9H2,1H3
InChIKeyHQSWWKPAIPMHGK-UHFFFAOYSA-N
MW296.29 g/mol
LogP4.00
Rot. Bonds5

About N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine

N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine (PubChem CID 62291138) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine
PubChem CID62291138
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC NameN-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C15H15F3N2O/c1-2-19-9-11-6-7-14(20-10-11)21-13-5-3-4-12(8-13)15(16,17)18/h3-8,10,19H,2,9H2,1H3
InChIKeyHQSWWKPAIPMHGK-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62296868
N-[[6-(3,5-dimethoxyphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297385
N-[[6-(4-chloro-3-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 82716590
N-[[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]ethanamine
CID 62757672
N-[[6-(4-bromophenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297130
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56545552
(E)-2-methyl-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]prop-2-enoic acid
CID 170873343
N-[[6-[(3-methoxyphenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 62289135
N-[[6-(3-fluoro-4-nitrophenoxy)-3-pyridinyl]methyl]ethanamine
CID 80639066
3-amino-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-ol
CID 170875003
(2R)-2-bromo-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide
CID 7004327
1,1-diethyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]urea
CID 60610934

Frequently Asked Questions

What is the IUPAC name of N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine (CID 62291138) is N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine is CCNCc1ccc(Oc2cccc(C(F)(F)F)c2)nc1.
What is the InChIKey of N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine?
The InChIKey is HQSWWKPAIPMHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-2-19-9-11-6-7-14(20-10-11)21-13-5-3-4-12(8-13)15(16,17)18/h3-8,10,19H,2,9H2,1H3.
What are the key properties of N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine?
N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine has a molecular weight of 296.29 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62291138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).