2-[3-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanamine

C14H15FN2O — CID 112615158

IUPAC2-[3-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanamine
SMILESNCCc1cccc(F)c1OCc1cccnc1
InChIInChI=1S/C14H15FN2O/c15-13-5-1-4-12(6-7-16)14(13)18-10-11-3-2-8-17-9-11/h1-5,8-9H,6-7,10,16H2
InChIKeyUXXGTYOXVJNIII-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.30
Rot. Bonds5

About 2-[3-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanamine

2-[3-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanamine (PubChem CID 112615158) has the molecular formula C14H15FN2O and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-[3-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanamine
PubChem CID112615158
Molecular FormulaC14H15FN2O
Molecular Weight246.29 g/mol
Exact Mass246.12
IUPAC Name2-[3-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanamine
SMILESNCCc1cccc(F)c1OCc1cccnc1
InChIInChI=1S/C14H15FN2O/c15-13-5-1-4-12(6-7-16)14(13)18-10-11-3-2-8-17-9-11/h1-5,8-9H,6-7,10,16H2
InChIKeyUXXGTYOXVJNIII-UHFFFAOYSA-N
XLogP2.30
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-fluoro-2-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 112615255
3-fluoro-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 112611761
[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methanamine
CID 112608067
2-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 112614730
3-[[2-(2-aminoethyl)-6-fluorophenoxy]methyl]pyridine-2-carbonitrile
CID 115957951
2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 115957934
2-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 115984055
2-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 112615245
2-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 112615303
3-[[2-bromo-6-(bromomethyl)phenoxy]methyl]pyridine
CID 61392148
4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]pyridine
CID 112613976
2-fluoro-6-(pyridin-3-ylmethyl)aniline
CID 105454246

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanamine (CID 112615158) is 2-[3-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanamine is NCCc1cccc(F)c1OCc1cccnc1.
What is the InChIKey of 2-[3-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanamine?
The InChIKey is UXXGTYOXVJNIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c15-13-5-1-4-12(6-7-16)14(13)18-10-11-3-2-8-17-9-11/h1-5,8-9H,6-7,10,16H2.
What are the key properties of 2-[3-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanamine?
2-[3-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanamine has a molecular weight of 246.29 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 112615158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).