1-(3-chloro-4-pyridinyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine

C15H12ClFN2O — CID 105185873

IUPAC1-(3-chloro-4-pyridinyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNC(c1cc2cc(F)ccc2o1)c1ccncc1Cl
InChIInChI=1S/C15H12ClFN2O/c1-18-15(11-4-5-19-8-12(11)16)14-7-9-6-10(17)2-3-13(9)20-14/h2-8,15,18H,1H3
InChIKeyUUSAYFKPFIZSPA-UHFFFAOYSA-N
MW290.73 g/mol
LogP3.93
Rot. Bonds3

About 1-(3-chloro-4-pyridinyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine

1-(3-chloro-4-pyridinyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine (PubChem CID 105185873) has the molecular formula C15H12ClFN2O and a molecular weight of 290.73 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
PubChem CID105185873
Molecular FormulaC15H12ClFN2O
Molecular Weight290.73 g/mol
Exact Mass290.06
IUPAC Name1-(3-chloro-4-pyridinyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNC(c1cc2cc(F)ccc2o1)c1ccncc1Cl
InChIInChI=1S/C15H12ClFN2O/c1-18-15(11-4-5-19-8-12(11)16)14-7-9-6-10(17)2-3-13(9)20-14/h2-8,15,18H,1H3
InChIKeyUUSAYFKPFIZSPA-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-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 114730648
1-(2-chloro-3-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105046105
N-[(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 114730477
1-(5-chloro-1-benzofuran-2-yl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 114728510
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 114727953
1-(2-bromo-5-fluorophenyl)-1-(5-chloro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105045763
1-(2,3-dimethylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105045995
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114727129
(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-pyridinyl)methanamine
CID 105185666
1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 114730411
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 114727892
1-(2-bromo-3-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 107985443

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine (CID 105185873) is 1-(3-chloro-4-pyridinyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine is CNC(c1cc2cc(F)ccc2o1)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
The InChIKey is UUSAYFKPFIZSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O/c1-18-15(11-4-5-19-8-12(11)16)14-7-9-6-10(17)2-3-13(9)20-14/h2-8,15,18H,1H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
1-(3-chloro-4-pyridinyl)-1-(5-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-4-pyridinyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 105185873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).