pyridin-3-yl-[4-(2,2,2-trifluoroethoxy)phenyl]methanamine

C14H13F3N2O — CID 70392473

IUPACpyridin-3-yl-[4-(2,2,2-trifluoroethoxy)phenyl]methanamine
SMILESNC(c1ccc(OCC(F)(F)F)cc1)c1cccnc1
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)9-20-12-5-3-10(4-6-12)13(18)11-2-1-7-19-8-11/h1-8,13H,9,18H2
InChIKeyNQHAZVWTJBHQSE-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.07
Rot. Bonds4

About pyridin-3-yl-[4-(2,2,2-trifluoroethoxy)phenyl]methanamine

pyridin-3-yl-[4-(2,2,2-trifluoroethoxy)phenyl]methanamine (PubChem CID 70392473) has the molecular formula C14H13F3N2O and a molecular weight of 282.27 g/mol. Its IUPAC name is pyridin-3-yl-[4-(2,2,2-trifluoroethoxy)phenyl]methanamine.

Molecular Properties

Compound Namepyridin-3-yl-[4-(2,2,2-trifluoroethoxy)phenyl]methanamine
PubChem CID70392473
Molecular FormulaC14H13F3N2O
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Namepyridin-3-yl-[4-(2,2,2-trifluoroethoxy)phenyl]methanamine
SMILESNC(c1ccc(OCC(F)(F)F)cc1)c1cccnc1
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)9-20-12-5-3-10(4-6-12)13(18)11-2-1-7-19-8-11/h1-8,13H,9,18H2
InChIKeyNQHAZVWTJBHQSE-UHFFFAOYSA-N
XLogP3.07
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pyridin-3-yl-[2-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 70393208
1-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103214655
phenyl(pyridin-3-yl)methanamine;hydrochloride
CID 23724449
(R)-pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanamine
CID 28502674
(R)-(4-bromophenyl)-pyridin-3-ylmethanamine
CID 42137795
(1R)-3,3,3-trifluoro-1-pyridin-3-ylpropan-1-amine
CID 103689442
(4-ethylphenyl)-pyridin-3-ylmethanamine;dihydrochloride
CID 117071668
[4-(2-methylpropyl)phenyl]-pyridin-3-ylmethanamine
CID 43198863
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
ethane;pyridin-3-yl(pyrimidin-5-yl)methanamine
CID 145185117
2-pyridin-3-yl-3-[4-(trifluoromethyl)phenoxy]propanoic acid
CID 117241340
3-(4-bromophenoxy)-1-pyridin-3-ylpropan-1-amine
CID 54971173

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[4-(2,2,2-trifluoroethoxy)phenyl]methanamine?
The IUPAC name of pyridin-3-yl-[4-(2,2,2-trifluoroethoxy)phenyl]methanamine (CID 70392473) is pyridin-3-yl-[4-(2,2,2-trifluoroethoxy)phenyl]methanamine.
What is the SMILES notation for pyridin-3-yl-[4-(2,2,2-trifluoroethoxy)phenyl]methanamine?
The canonical SMILES for pyridin-3-yl-[4-(2,2,2-trifluoroethoxy)phenyl]methanamine is NC(c1ccc(OCC(F)(F)F)cc1)c1cccnc1.
What is the InChIKey of pyridin-3-yl-[4-(2,2,2-trifluoroethoxy)phenyl]methanamine?
The InChIKey is NQHAZVWTJBHQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c15-14(16,17)9-20-12-5-3-10(4-6-12)13(18)11-2-1-7-19-8-11/h1-8,13H,9,18H2.
What are the key properties of pyridin-3-yl-[4-(2,2,2-trifluoroethoxy)phenyl]methanamine?
pyridin-3-yl-[4-(2,2,2-trifluoroethoxy)phenyl]methanamine has a molecular weight of 282.27 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-[4-(2,2,2-trifluoroethoxy)phenyl]methanamine is sourced from PubChem (CID 70392473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).