1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanamine

C16H16FNO — CID 63020230

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(F)cc1)c1ccc2c(c1)COC2
InChIInChI=1S/C16H16FNO/c17-15-5-1-11(2-6-15)7-16(18)12-3-4-13-9-19-10-14(13)8-12/h1-6,8,16H,7,9-10,18H2
InChIKeyJIBCOVBBSFGTFS-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.10
Rot. Bonds3

About 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanamine

1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanamine (PubChem CID 63020230) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanamine
PubChem CID63020230
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(F)cc1)c1ccc2c(c1)COC2
InChIInChI=1S/C16H16FNO/c17-15-5-1-11(2-6-15)7-16(18)12-3-4-13-9-19-10-14(13)8-12/h1-6,8,16H,7,9-10,18H2
InChIKeyJIBCOVBBSFGTFS-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanamine?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanamine (CID 63020230) is 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanamine is NC(Cc1ccc(F)cc1)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanamine?
The InChIKey is JIBCOVBBSFGTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c17-15-5-1-11(2-6-15)7-16(18)12-3-4-13-9-19-10-14(13)8-12/h1-6,8,16H,7,9-10,18H2.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanamine?
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanamine has a molecular weight of 257.31 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 63020230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).