1-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine

C14H15FN2O — CID 113389434

IUPAC1-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OCc2cccnc2)c(F)c1
InChIInChI=1S/C14H15FN2O/c1-10(16)12-4-5-14(13(15)7-12)18-9-11-3-2-6-17-8-11/h2-8,10H,9,16H2,1H3
InChIKeyNGPJDRFBKQZDJO-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.82
Rot. Bonds4

About 1-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine

1-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine (PubChem CID 113389434) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine
PubChem CID113389434
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name1-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OCc2cccnc2)c(F)c1
InChIInChI=1S/C14H15FN2O/c1-10(16)12-4-5-14(13(15)7-12)18-9-11-3-2-6-17-8-11/h2-8,10H,9,16H2,1H3
InChIKeyNGPJDRFBKQZDJO-UHFFFAOYSA-N
XLogP2.82
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 113389598
(1S)-1-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine
CID 113389810
(1R)-1-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63937359
4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 78934917
(1R)-1-[3-fluoro-4-(3-pyridin-4-ylpropoxy)phenyl]ethanamine
CID 29006438
3-fluoro-N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 107666338
3-fluoro-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 82253424
(1R)-1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102881645
1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 115582207
(1R)-1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 55191142
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
4-fluoro-2-(pyridin-3-ylmethoxy)aniline
CID 16773987

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 1-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine (CID 113389434) is 1-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 1-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine is CC(N)c1ccc(OCc2cccnc2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine?
The InChIKey is NGPJDRFBKQZDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-10(16)12-4-5-14(13(15)7-12)18-9-11-3-2-6-17-8-11/h2-8,10H,9,16H2,1H3.
What are the key properties of 1-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine?
1-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine has a molecular weight of 246.28 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 113389434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).