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

C10H12FNO — CID 83906491

IUPAC1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine
SMILESCC(N)C1COc2ccc(F)cc21
InChIInChI=1S/C10H12FNO/c1-6(12)9-5-13-10-3-2-7(11)4-8(9)10/h2-4,6,9H,5,12H2,1H3
InChIKeyVJGFVEOSPBMQLM-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.65
Rot. Bonds1

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

1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine (PubChem CID 83906491) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine
PubChem CID83906491
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine
SMILESCC(N)C1COc2ccc(F)cc21
InChIInChI=1S/C10H12FNO/c1-6(12)9-5-13-10-3-2-7(11)4-8(9)10/h2-4,6,9H,5,12H2,1H3
InChIKeyVJGFVEOSPBMQLM-UHFFFAOYSA-N
XLogP1.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethanamine
CID 96839651
(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanamine
CID 55263545
1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-N-methylpropan-2-amine
CID 117201926
1-(7-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine
CID 83906490
(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol
CID 22012245
(3S)-5-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran
CID 58740911
O-[(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine
CID 117201919
3,3,6-trifluoro-4-propan-2-yl-2,4-dihydrochromene
CID 166752875
1-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 83909719
[(3S,4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanol
CID 130937445
methyl 2-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)acetate
CID 137332483
4-fluoro-8,12,13-trioxatricyclo[8.2.1.02,7]trideca-2(7),3,5-triene
CID 102418336

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine?
The IUPAC name of 1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine (CID 83906491) is 1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine.
What is the SMILES notation for 1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine?
The canonical SMILES for 1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine is CC(N)C1COc2ccc(F)cc21.
What is the InChIKey of 1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine?
The InChIKey is VJGFVEOSPBMQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-6(12)9-5-13-10-3-2-7(11)4-8(9)10/h2-4,6,9H,5,12H2,1H3.
What are the key properties of 1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine?
1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine has a molecular weight of 181.21 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine is sourced from PubChem (CID 83906491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).