(1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine

C15H14F4N2O — CID 118497748

IUPAC(1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine
SMILESC[C@@H](N)c1ncc(OCC(F)(F)F)cc1-c1cccc(F)c1
InChIInChI=1S/C15H14F4N2O/c1-9(20)14-13(10-3-2-4-11(16)5-10)6-12(7-21-14)22-8-15(17,18)19/h2-7,9H,8,20H2,1H3/t9-/m1/s1
InChIKeyBANPMSIDZCCRNT-SECBINFHSA-N
MW314.28 g/mol
LogP3.85
Rot. Bonds4

About (1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine

(1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine (PubChem CID 118497748) has the molecular formula C15H14F4N2O and a molecular weight of 314.28 g/mol. Its IUPAC name is (1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine
PubChem CID118497748
Molecular FormulaC15H14F4N2O
Molecular Weight314.28 g/mol
Exact Mass314.10
IUPAC Name(1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine
SMILESC[C@@H](N)c1ncc(OCC(F)(F)F)cc1-c1cccc(F)c1
InChIInChI=1S/C15H14F4N2O/c1-9(20)14-13(10-3-2-4-11(16)5-10)6-12(7-21-14)22-8-15(17,18)19/h2-7,9H,8,20H2,1H3/t9-/m1/s1
InChIKeyBANPMSIDZCCRNT-SECBINFHSA-N
XLogP3.85
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]azanide
CID 154301038
(1R)-1-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine
CID 67289741
1-[3-fluoro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine
CID 77402493
2-(3-propan-2-ylphenyl)-5-(2,2,2-trifluoroethoxy)aniline
CID 172674959
3-(3-fluorophenyl)-2-propan-2-ylpyridine
CID 90162322
1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-1-amine
CID 112584686
2-[4-(3-fluorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 163408294
1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-2-amine
CID 60907315
1-[3-(2,2,2-trifluoroethoxy)phenyl]butan-2-amine
CID 54929405
2-tert-butyl-5-(3-fluorophenyl)-4-(trifluoromethyl)pyridine
CID 121384491
1-[5-(3-fluorophenyl)thiophen-2-yl]ethanamine
CID 43154255
6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridazin-3-amine
CID 178065217

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine?
The IUPAC name of (1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine (CID 118497748) is (1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for (1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine is C[C@@H](N)c1ncc(OCC(F)(F)F)cc1-c1cccc(F)c1.
What is the InChIKey of (1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine?
The InChIKey is BANPMSIDZCCRNT-SECBINFHSA-N. The full InChI is InChI=1S/C15H14F4N2O/c1-9(20)14-13(10-3-2-4-11(16)5-10)6-12(7-21-14)22-8-15(17,18)19/h2-7,9H,8,20H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine?
(1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine has a molecular weight of 314.28 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 118497748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).