[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methanamine

C13H13FN2O — CID 112608067

IUPAC[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methanamine
SMILESNCc1cccc(F)c1OCc1ccncc1
InChIInChI=1S/C13H13FN2O/c14-12-3-1-2-11(8-15)13(12)17-9-10-4-6-16-7-5-10/h1-7H,8-9,15H2
InChIKeyDRJJKKYFSWSZSS-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.26
Rot. Bonds4

About [3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methanamine

[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methanamine (PubChem CID 112608067) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is [3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methanamine
PubChem CID112608067
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methanamine
SMILESNCc1cccc(F)c1OCc1ccncc1
InChIInChI=1S/C13H13FN2O/c14-12-3-1-2-11(8-15)13(12)17-9-10-4-6-16-7-5-10/h1-7H,8-9,15H2
InChIKeyDRJJKKYFSWSZSS-UHFFFAOYSA-N
XLogP2.26
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]pyridine
CID 112613976
N-[[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115955206
[4-[(2,6-difluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 81270028
[3-fluoro-2-(thiophen-3-ylmethoxy)phenyl]methanamine
CID 112608169
2-[3-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanamine
CID 112615158
[3-fluoro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 115952103
[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 114848317
[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-fluorophenyl]methanamine
CID 103172064
4-[(2,3-difluorophenoxy)methyl]pyridine
CID 141089252
[2-[(3-ethylimidazol-4-yl)methoxy]-3-fluorophenyl]methanamine
CID 112608173
[2-[(5-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanamine
CID 112608155
[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methanamine
CID 112608195

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methanamine?
The IUPAC name of [3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methanamine (CID 112608067) is [3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methanamine is NCc1cccc(F)c1OCc1ccncc1.
What is the InChIKey of [3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methanamine?
The InChIKey is DRJJKKYFSWSZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c14-12-3-1-2-11(8-15)13(12)17-9-10-4-6-16-7-5-10/h1-7H,8-9,15H2.
What are the key properties of [3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methanamine?
[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methanamine has a molecular weight of 232.26 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 112608067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).