1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-fluorophenyl)ethanamine

C16H16FNO — CID 114745088

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-fluorophenyl)ethanamine
SMILESNC(Cc1cccc(F)c1)c1cccc2c1OCC2
InChIInChI=1S/C16H16FNO/c17-13-5-1-3-11(9-13)10-15(18)14-6-2-4-12-7-8-19-16(12)14/h1-6,9,15H,7-8,10,18H2
InChIKeyILUIVQUUSVCOCL-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.00
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-fluorophenyl)ethanamine

1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-fluorophenyl)ethanamine (PubChem CID 114745088) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-fluorophenyl)ethanamine
PubChem CID114745088
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-fluorophenyl)ethanamine
SMILESNC(Cc1cccc(F)c1)c1cccc2c1OCC2
InChIInChI=1S/C16H16FNO/c17-13-5-1-3-11(9-13)10-15(18)14-6-2-4-12-7-8-19-16(12)14/h1-6,9,15H,7-8,10,18H2
InChIKeyILUIVQUUSVCOCL-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)ethanamine
CID 114745163
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(2-methylphenyl)ethanamine
CID 114745152
[2-(2,4-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethyl]hydrazine
CID 105223225
1-(2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-1-amine
CID 114745358
[1-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105198455
2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 114744440
2,3-dihydro-1-benzofuran-7-yl-(3,4,5-trifluorophenyl)methanamine
CID 114745149
1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-dimethylpropane-1,3-diamine
CID 114745997
1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-yloxyethanamine
CID 105189364
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfonylethanamine
CID 105053313
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(oxolan-2-yl)ethanamine
CID 114744900
1-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridin-3-ylpropan-1-amine
CID 105189486

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-fluorophenyl)ethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-fluorophenyl)ethanamine (CID 114745088) is 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-fluorophenyl)ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-fluorophenyl)ethanamine is NC(Cc1cccc(F)c1)c1cccc2c1OCC2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-fluorophenyl)ethanamine?
The InChIKey is ILUIVQUUSVCOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c17-13-5-1-3-11(9-13)10-15(18)14-6-2-4-12-7-8-19-16(12)14/h1-6,9,15H,7-8,10,18H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-fluorophenyl)ethanamine?
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-fluorophenyl)ethanamine has a molecular weight of 257.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 114745088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).