1-(3-chloro-2-pyridinyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine

C15H12ClFN2O — CID 103444169

IUPAC1-(3-chloro-2-pyridinyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNC(c1cc2cccc(F)c2o1)c1ncccc1Cl
InChIInChI=1S/C15H12ClFN2O/c1-18-14(13-10(16)5-3-7-19-13)12-8-9-4-2-6-11(17)15(9)20-12/h2-8,14,18H,1H3
InChIKeyHITHGICWQHRPPX-UHFFFAOYSA-N
MW290.73 g/mol
LogP3.93
Rot. Bonds3

About 1-(3-chloro-2-pyridinyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine

1-(3-chloro-2-pyridinyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine (PubChem CID 103444169) has the molecular formula C15H12ClFN2O and a molecular weight of 290.73 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
PubChem CID103444169
Molecular FormulaC15H12ClFN2O
Molecular Weight290.73 g/mol
Exact Mass290.06
IUPAC Name1-(3-chloro-2-pyridinyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNC(c1cc2cccc(F)c2o1)c1ncccc1Cl
InChIInChI=1S/C15H12ClFN2O/c1-18-14(13-10(16)5-3-7-19-13)12-8-9-4-2-6-11(17)15(9)20-12/h2-8,14,18H,1H3
InChIKeyHITHGICWQHRPPX-UHFFFAOYSA-N
XLogP3.93
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 114728621
1-(7-chloro-1-benzofuran-2-yl)-1-(2-chloro-3-fluorophenyl)-N-methylmethanamine
CID 105048406
1-(7-chloro-1-benzofuran-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 114727533
1-(3-ethyl-2-pyridinyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 114730705
1-(3-chloro-2-pyridinyl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 103444331
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 114730983
1-(3-chloro-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 103444187
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105186439
1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65439621
1-(7-chloro-1-benzofuran-2-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105048530
1-(5-ethylfuran-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105047584
[(3,4-dichlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105257216

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine (CID 103444169) is 1-(3-chloro-2-pyridinyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine is CNC(c1cc2cccc(F)c2o1)c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
The InChIKey is HITHGICWQHRPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O/c1-18-14(13-10(16)5-3-7-19-13)12-8-9-4-2-6-11(17)15(9)20-12/h2-8,14,18H,1H3.
What are the key properties of 1-(3-chloro-2-pyridinyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
1-(3-chloro-2-pyridinyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine has a molecular weight of 290.73 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 103444169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).