(2-fluoro-3-methoxyphenyl)-pyridin-4-ylmethanamine

C13H13FN2O — CID 82807035

IUPAC(2-fluoro-3-methoxyphenyl)-pyridin-4-ylmethanamine
SMILESCOc1cccc(C(N)c2ccncc2)c1F
InChIInChI=1S/C13H13FN2O/c1-17-11-4-2-3-10(12(11)14)13(15)9-5-7-16-8-6-9/h2-8,13H,15H2,1H3
InChIKeyCMXVNIZPZLQLAY-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.28
Rot. Bonds3

About (2-fluoro-3-methoxyphenyl)-pyridin-4-ylmethanamine

(2-fluoro-3-methoxyphenyl)-pyridin-4-ylmethanamine (PubChem CID 82807035) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is (2-fluoro-3-methoxyphenyl)-pyridin-4-ylmethanamine.

Molecular Properties

Compound Name(2-fluoro-3-methoxyphenyl)-pyridin-4-ylmethanamine
PubChem CID82807035
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name(2-fluoro-3-methoxyphenyl)-pyridin-4-ylmethanamine
SMILESCOc1cccc(C(N)c2ccncc2)c1F
InChIInChI=1S/C13H13FN2O/c1-17-11-4-2-3-10(12(11)14)13(15)9-5-7-16-8-6-9/h2-8,13H,15H2,1H3
InChIKeyCMXVNIZPZLQLAY-UHFFFAOYSA-N
XLogP2.28
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 82808424
(2-fluoro-3-methoxyphenyl)-pyrimidin-4-ylmethanamine
CID 82807720
(3,4-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024853
(R)-(2-fluoro-3-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171248230
(3-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82808205
(2-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanamine
CID 82793131
(3-chloro-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82808026
(2-fluoro-3-methoxyphenyl)-quinoxalin-5-ylmethanamine
CID 105174708
(2-fluoro-3-methoxyphenyl)-(1,3-thiazol-5-yl)methanamine
CID 82812068
(4-chloro-3-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 107994800
(2-fluoro-3-methoxyphenyl)-quinolin-5-ylmethanamine
CID 105174775
[3-(difluoromethoxy)phenyl]-(2-fluoro-3-methoxyphenyl)methanamine
CID 105025170

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methoxyphenyl)-pyridin-4-ylmethanamine?
The IUPAC name of (2-fluoro-3-methoxyphenyl)-pyridin-4-ylmethanamine (CID 82807035) is (2-fluoro-3-methoxyphenyl)-pyridin-4-ylmethanamine.
What is the SMILES notation for (2-fluoro-3-methoxyphenyl)-pyridin-4-ylmethanamine?
The canonical SMILES for (2-fluoro-3-methoxyphenyl)-pyridin-4-ylmethanamine is COc1cccc(C(N)c2ccncc2)c1F.
What is the InChIKey of (2-fluoro-3-methoxyphenyl)-pyridin-4-ylmethanamine?
The InChIKey is CMXVNIZPZLQLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-17-11-4-2-3-10(12(11)14)13(15)9-5-7-16-8-6-9/h2-8,13H,15H2,1H3.
What are the key properties of (2-fluoro-3-methoxyphenyl)-pyridin-4-ylmethanamine?
(2-fluoro-3-methoxyphenyl)-pyridin-4-ylmethanamine has a molecular weight of 232.26 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methoxyphenyl)-pyridin-4-ylmethanamine is sourced from PubChem (CID 82807035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).