1-(1-benzofuran-3-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine

C15H13FN2O — CID 104738663

IUPAC1-(1-benzofuran-3-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ccncc1F)c1coc2ccccc12
InChIInChI=1S/C15H13FN2O/c1-17-15(11-6-7-18-8-13(11)16)12-9-19-14-5-3-2-4-10(12)14/h2-9,15,17H,1H3
InChIKeyAEKZBVAMLVCPIB-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.28
Rot. Bonds3

About 1-(1-benzofuran-3-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine

1-(1-benzofuran-3-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine (PubChem CID 104738663) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
PubChem CID104738663
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name1-(1-benzofuran-3-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ccncc1F)c1coc2ccccc12
InChIInChI=1S/C15H13FN2O/c1-17-15(11-6-7-18-8-13(11)16)12-9-19-14-5-3-2-4-10(12)14/h2-9,15,17H,1H3
InChIKeyAEKZBVAMLVCPIB-UHFFFAOYSA-N
XLogP3.28
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-3-yl)-1-(3-bromo-2,6-difluorophenyl)-N-methylmethanamine
CID 106942961
1-(3-fluoro-4-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 105038078
1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N-methylethanamine
CID 116961416
1-(1-benzofuran-3-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688965
2-(1-benzofuran-3-yl)-N-methyl-2-pyridin-3-ylethanamine
CID 116824806
1-(3-fluoro-4-pyridinyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 104738299
1-(4-chloro-3-fluorophenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
CID 114025401
1-(3-fluoro-4-pyridinyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105181850
1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine
CID 104738640
[(3-fluoro-4-pyridinyl)-(2-methylfuran-3-yl)methyl]hydrazine
CID 105269064
1-(2,5-dimethylpyrazol-3-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
CID 105182032
1-(1-benzofuran-3-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 113370643

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(1-benzofuran-3-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine (CID 104738663) is 1-(1-benzofuran-3-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(1-benzofuran-3-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine is CNC(c1ccncc1F)c1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine?
The InChIKey is AEKZBVAMLVCPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-17-15(11-6-7-18-8-13(11)16)12-9-19-14-5-3-2-4-10(12)14/h2-9,15,17H,1H3.
What are the key properties of 1-(1-benzofuran-3-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine?
1-(1-benzofuran-3-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine has a molecular weight of 256.28 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 104738663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).