2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-6-methoxyphenyl)methanamine

C16H16FNO2 — CID 114745887

IUPAC2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-6-methoxyphenyl)methanamine
SMILESCOc1cccc(F)c1C(N)c1cccc2c1OCC2
InChIInChI=1S/C16H16FNO2/c1-19-13-7-3-6-12(17)14(13)15(18)11-5-2-4-10-8-9-20-16(10)11/h2-7,15H,8-9,18H2,1H3
InChIKeyFQTUSWCRXYYYSE-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.82
Rot. Bonds3

About 2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-6-methoxyphenyl)methanamine

2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-6-methoxyphenyl)methanamine (PubChem CID 114745887) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-6-methoxyphenyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-6-methoxyphenyl)methanamine
PubChem CID114745887
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-6-methoxyphenyl)methanamine
SMILESCOc1cccc(F)c1C(N)c1cccc2c1OCC2
InChIInChI=1S/C16H16FNO2/c1-19-13-7-3-6-12(17)14(13)15(18)11-5-2-4-10-8-9-20-16(10)11/h2-7,15H,8-9,18H2,1H3
InChIKeyFQTUSWCRXYYYSE-UHFFFAOYSA-N
XLogP2.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzofuran-7-yl-(2-methoxy-5-methylphenyl)methanamine
CID 105053233
2,3-dihydro-1-benzofuran-7-yl-(3,4,5-trifluorophenyl)methanamine
CID 114745149
2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methylphenyl)methanamine
CID 105053341
(2-fluoro-6-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 65434780
(3-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 107953818
(2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122336
(4-bromo-2-methoxyphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105049286
(2,5-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745341
2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methoxyphenyl)methanol
CID 114744709
5-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 65433487
1-(2,3-dihydro-1-benzofuran-7-yl)-2,2,2-trifluoroethanamine
CID 112704592
[2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-6-methoxyphenyl)methyl]hydrazine
CID 105252568

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-6-methoxyphenyl)methanamine?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-6-methoxyphenyl)methanamine (CID 114745887) is 2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-6-methoxyphenyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-6-methoxyphenyl)methanamine?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-6-methoxyphenyl)methanamine is COc1cccc(F)c1C(N)c1cccc2c1OCC2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-6-methoxyphenyl)methanamine?
The InChIKey is FQTUSWCRXYYYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-19-13-7-3-6-12(17)14(13)15(18)11-5-2-4-10-8-9-20-16(10)11/h2-7,15H,8-9,18H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-6-methoxyphenyl)methanamine?
2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-6-methoxyphenyl)methanamine has a molecular weight of 273.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-6-methoxyphenyl)methanamine is sourced from PubChem (CID 114745887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).