N-ethyl-N-[[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine

C20H24FNO — CID 69262092

IUPACN-ethyl-N-[[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine
SMILESCCN(CC)CC1Cc2cc(F)cc(-c3ccccc3C)c2O1
InChIInChI=1S/C20H24FNO/c1-4-22(5-2)13-17-11-15-10-16(21)12-19(20(15)23-17)18-9-7-6-8-14(18)3/h6-10,12,17H,4-5,11,13H2,1-3H3
InChIKeyPOUCFCWLQXSQLW-UHFFFAOYSA-N
MW313.42 g/mol
LogP4.45
Rot. Bonds5

About N-ethyl-N-[[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine

N-ethyl-N-[[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine (PubChem CID 69262092) has the molecular formula C20H24FNO and a molecular weight of 313.42 g/mol. Its IUPAC name is N-ethyl-N-[[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine
PubChem CID69262092
Molecular FormulaC20H24FNO
Molecular Weight313.42 g/mol
Exact Mass313.18
IUPAC NameN-ethyl-N-[[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine
SMILESCCN(CC)CC1Cc2cc(F)cc(-c3ccccc3C)c2O1
InChIInChI=1S/C20H24FNO/c1-4-22(5-2)13-17-11-15-10-16(21)12-19(20(15)23-17)18-9-7-6-8-14(18)3/h6-10,12,17H,4-5,11,13H2,1-3H3
InChIKeyPOUCFCWLQXSQLW-UHFFFAOYSA-N
XLogP4.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine (CID 69262092) is N-ethyl-N-[[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine is CCN(CC)CC1Cc2cc(F)cc(-c3ccccc3C)c2O1.
What is the InChIKey of N-ethyl-N-[[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine?
The InChIKey is POUCFCWLQXSQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO/c1-4-22(5-2)13-17-11-15-10-16(21)12-19(20(15)23-17)18-9-7-6-8-14(18)3/h6-10,12,17H,4-5,11,13H2,1-3H3.
What are the key properties of N-ethyl-N-[[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine?
N-ethyl-N-[[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine has a molecular weight of 313.42 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine is sourced from PubChem (CID 69262092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).