2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoro-2-phenylethanamine

C16H16FNO — CID 114747716

IUPAC2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoro-2-phenylethanamine
SMILESNCC(F)(c1ccccc1)c1cccc2c1OCC2
InChIInChI=1S/C16H16FNO/c17-16(11-18,13-6-2-1-3-7-13)14-8-4-5-12-9-10-19-15(12)14/h1-8H,9-11,18H2
InChIKeyRRZGNLBOUQXEPY-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.79
Rot. Bonds3

About 2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoro-2-phenylethanamine

2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoro-2-phenylethanamine (PubChem CID 114747716) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoro-2-phenylethanamine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoro-2-phenylethanamine
PubChem CID114747716
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoro-2-phenylethanamine
SMILESNCC(F)(c1ccccc1)c1cccc2c1OCC2
InChIInChI=1S/C16H16FNO/c17-16(11-18,13-6-2-1-3-7-13)14-8-4-5-12-9-10-19-15(12)14/h1-8H,9-11,18H2
InChIKeyRRZGNLBOUQXEPY-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol
CID 15605604
2-(3,4-dihydro-2H-chromen-8-yl)-2-fluoro-3,3-dimethylbutan-1-amine
CID 114747718
1-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine
CID 114743831
2-(2,3-dimethylphenyl)-2-fluoro-2-phenylethanamine
CID 112566318
7-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran
CID 173236217
2-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol
CID 143454738
1-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine
CID 114743837
1-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethanamine
CID 114743817
2-(2,3-dihydro-1-benzofuran-7-yl)-1-methoxypropan-2-amine
CID 114743871
1-amino-2-(3,4-dihydro-2H-chromen-8-yl)butan-2-ol
CID 114743669
3-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114747537
4-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-one
CID 114746860

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoro-2-phenylethanamine?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoro-2-phenylethanamine (CID 114747716) is 2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoro-2-phenylethanamine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoro-2-phenylethanamine?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoro-2-phenylethanamine is NCC(F)(c1ccccc1)c1cccc2c1OCC2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoro-2-phenylethanamine?
The InChIKey is RRZGNLBOUQXEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c17-16(11-18,13-6-2-1-3-7-13)14-8-4-5-12-9-10-19-15(12)14/h1-8H,9-11,18H2.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoro-2-phenylethanamine?
2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoro-2-phenylethanamine has a molecular weight of 257.31 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoro-2-phenylethanamine is sourced from PubChem (CID 114747716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).