1-(1-benzofuran-2-yl)-1-(2,5-difluorophenyl)-N-methylmethanamine

C16H13F2NO — CID 63089727

IUPAC1-(1-benzofuran-2-yl)-1-(2,5-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1cc2ccccc2o1)c1cc(F)ccc1F
InChIInChI=1S/C16H13F2NO/c1-19-16(12-9-11(17)6-7-13(12)18)15-8-10-4-2-3-5-14(10)20-15/h2-9,16,19H,1H3
InChIKeyCPNMAFYSXPTJCK-UHFFFAOYSA-N
MW273.28 g/mol
LogP4.02
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-1-(2,5-difluorophenyl)-N-methylmethanamine

1-(1-benzofuran-2-yl)-1-(2,5-difluorophenyl)-N-methylmethanamine (PubChem CID 63089727) has the molecular formula C16H13F2NO and a molecular weight of 273.28 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-1-(2,5-difluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-1-(2,5-difluorophenyl)-N-methylmethanamine
PubChem CID63089727
Molecular FormulaC16H13F2NO
Molecular Weight273.28 g/mol
Exact Mass273.10
IUPAC Name1-(1-benzofuran-2-yl)-1-(2,5-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1cc2ccccc2o1)c1cc(F)ccc1F
InChIInChI=1S/C16H13F2NO/c1-19-16(12-9-11(17)6-7-13(12)18)15-8-10-4-2-3-5-14(10)20-15/h2-9,16,19H,1H3
InChIKeyCPNMAFYSXPTJCK-UHFFFAOYSA-N
XLogP4.02
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-2-yl)-1-(2-bromo-3,4-difluorophenyl)-N-methylmethanamine
CID 107539018
1-(5-chloro-1-benzofuran-2-yl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 114728517
1-(5-chloro-1-benzofuran-2-yl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 114728510
1-(1-benzofuran-2-yl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine
CID 106645563
1-(2-bromo-5-fluorophenyl)-1-(5-chloro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105045763
1-(1-benzofuran-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 105044001
1-(1-benzofuran-2-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106881512
1-(2,5-difluorophenyl)-N-methyl-1-quinolin-2-ylmethanamine
CID 63222517
1-(2,3-dimethylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105045995
1-(2-chloro-3-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105046105
1-(1-benzofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine
CID 107103108
1-(2,5-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 43482919

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-1-(2,5-difluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-1-(2,5-difluorophenyl)-N-methylmethanamine (CID 63089727) is 1-(1-benzofuran-2-yl)-1-(2,5-difluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-1-(2,5-difluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-1-(2,5-difluorophenyl)-N-methylmethanamine is CNC(c1cc2ccccc2o1)c1cc(F)ccc1F.
What is the InChIKey of 1-(1-benzofuran-2-yl)-1-(2,5-difluorophenyl)-N-methylmethanamine?
The InChIKey is CPNMAFYSXPTJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO/c1-19-16(12-9-11(17)6-7-13(12)18)15-8-10-4-2-3-5-14(10)20-15/h2-9,16,19H,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-1-(2,5-difluorophenyl)-N-methylmethanamine?
1-(1-benzofuran-2-yl)-1-(2,5-difluorophenyl)-N-methylmethanamine has a molecular weight of 273.28 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-1-(2,5-difluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 63089727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).