1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine

C16H15FN2O — CID 114728621

IUPAC1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
SMILESCNC(c1cc(C)ccn1)c1cc2cccc(F)c2o1
InChIInChI=1S/C16H15FN2O/c1-10-6-7-19-13(8-10)15(18-2)14-9-11-4-3-5-12(17)16(11)20-14/h3-9,15,18H,1-2H3
InChIKeyIDNHEFCDRPADJD-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.58
Rot. Bonds3

About 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine

1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine (PubChem CID 114728621) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound Name1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
PubChem CID114728621
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
SMILESCNC(c1cc(C)ccn1)c1cc2cccc(F)c2o1
InChIInChI=1S/C16H15FN2O/c1-10-6-7-19-13(8-10)15(18-2)14-9-11-4-3-5-12(17)16(11)20-14/h3-9,15,18H,1-2H3
InChIKeyIDNHEFCDRPADJD-UHFFFAOYSA-N
XLogP3.58
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(7-fluoro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 114728628
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105186439
1-(2-bromo-4-methylphenyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105047461
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 114730983
1-(3-chloro-2-pyridinyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 103444169
1-(2-bromofuran-3-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 106858731
(7-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanamine
CID 114730572
[(7-fluoro-1-benzofuran-2-yl)-(3-methylphenyl)methyl]hydrazine
CID 105200864
1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65439621
1-(5-ethylfuran-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105047584
[(3,5-dimethyl-2-pyridinyl)-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105266541
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(2-methyl-4-pyridinyl)methanamine
CID 106755900

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine?
The IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine (CID 114728621) is 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine?
The canonical SMILES for 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine is CNC(c1cc(C)ccn1)c1cc2cccc(F)c2o1.
What is the InChIKey of 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine?
The InChIKey is IDNHEFCDRPADJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-10-6-7-19-13(8-10)15(18-2)14-9-11-4-3-5-12(17)16(11)20-14/h3-9,15,18H,1-2H3.
What are the key properties of 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine?
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine has a molecular weight of 270.31 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 114728621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).