1-(1,3-dihydro-2-benzofuran-5-yl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine

C17H18FNO2 — CID 65434782

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc2c(c1)COC2)c1c(F)cccc1OC
InChIInChI=1S/C17H18FNO2/c1-19-17(16-14(18)4-3-5-15(16)20-2)11-6-7-12-9-21-10-13(12)8-11/h3-8,17,19H,9-10H2,1-2H3
InChIKeyBROYOFSSYWAAMK-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.17
Rot. Bonds4

About 1-(1,3-dihydro-2-benzofuran-5-yl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine

1-(1,3-dihydro-2-benzofuran-5-yl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine (PubChem CID 65434782) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine
PubChem CID65434782
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc2c(c1)COC2)c1c(F)cccc1OC
InChIInChI=1S/C17H18FNO2/c1-19-17(16-14(18)4-3-5-15(16)20-2)11-6-7-12-9-21-10-13(12)8-11/h3-8,17,19H,9-10H2,1-2H3
InChIKeyBROYOFSSYWAAMK-UHFFFAOYSA-N
XLogP3.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 43481181
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 63186146
1-(4-ethylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine
CID 65434197
1-(3-chloro-4-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 82875403
[2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-6-methoxyphenyl)methyl]hydrazine
CID 105252568
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65153328
1-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 63018999
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 63021279
2,3-dihydro-1H-inden-5-yl-(2-fluoro-6-methoxyphenyl)methanol
CID 65434633
1-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43487646
1-(2,3-difluoro-4-methylphenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 107515480
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 63020408

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine (CID 65434782) is 1-(1,3-dihydro-2-benzofuran-5-yl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine is CNC(c1ccc2c(c1)COC2)c1c(F)cccc1OC.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine?
The InChIKey is BROYOFSSYWAAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-19-17(16-14(18)4-3-5-15(16)20-2)11-6-7-12-9-21-10-13(12)8-11/h3-8,17,19H,9-10H2,1-2H3.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine?
1-(1,3-dihydro-2-benzofuran-5-yl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine has a molecular weight of 287.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 65434782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).