1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylphenyl)methanamine

C17H16FNO — CID 114727892

IUPAC1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylphenyl)methanamine
SMILESCNC(c1cccc(C)c1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C17H16FNO/c1-11-4-3-5-12(8-11)17(19-2)16-10-13-9-14(18)6-7-15(13)20-16/h3-10,17,19H,1-2H3
InChIKeyVFASVAQKBHCDFG-UHFFFAOYSA-N
MW269.32 g/mol
LogP4.19
Rot. Bonds3

About 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylphenyl)methanamine

1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylphenyl)methanamine (PubChem CID 114727892) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylphenyl)methanamine.

Molecular Properties

Compound Name1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylphenyl)methanamine
PubChem CID114727892
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylphenyl)methanamine
SMILESCNC(c1cccc(C)c1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C17H16FNO/c1-11-4-3-5-12(8-11)17(19-2)16-10-13-9-14(18)6-7-15(13)20-16/h3-10,17,19H,1-2H3
InChIKeyVFASVAQKBHCDFG-UHFFFAOYSA-N
XLogP4.19
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114727544
1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 114730411
N-[(5-fluoro-1-benzofuran-2-yl)-(3-methylphenyl)methyl]ethanamine
CID 114727898
1-(3,5-difluorophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114728139
1-(3-bromo-5-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105046064
1-(5-chloro-1-benzofuran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 114727543
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-phenylmethanamine
CID 114727848
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
[(3,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105338687
[(5-fluoro-1-benzofuran-2-yl)-(3-fluorophenyl)methyl]hydrazine
CID 105193194
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-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylphenyl)methanamine?
The IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylphenyl)methanamine (CID 114727892) is 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylphenyl)methanamine.
What is the SMILES notation for 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylphenyl)methanamine?
The canonical SMILES for 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylphenyl)methanamine is CNC(c1cccc(C)c1)c1cc2cc(F)ccc2o1.
What is the InChIKey of 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylphenyl)methanamine?
The InChIKey is VFASVAQKBHCDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c1-11-4-3-5-12(8-11)17(19-2)16-10-13-9-14(18)6-7-15(13)20-16/h3-10,17,19H,1-2H3.
What are the key properties of 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylphenyl)methanamine?
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylphenyl)methanamine has a molecular weight of 269.32 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylphenyl)methanamine is sourced from PubChem (CID 114727892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).