1-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-fluorophenyl]ethanamine

C17H18FNO2 — CID 107716051

IUPAC1-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-fluorophenyl]ethanamine
SMILESCC(N)c1ccc(OCC2COc3ccccc32)cc1F
InChIInChI=1S/C17H18FNO2/c1-11(19)14-7-6-13(8-16(14)18)20-9-12-10-21-17-5-3-2-4-15(12)17/h2-8,11-12H,9-10,19H2,1H3
InChIKeySLIJFIIWMREEBX-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.40
Rot. Bonds4

About 1-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-fluorophenyl]ethanamine

1-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-fluorophenyl]ethanamine (PubChem CID 107716051) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-fluorophenyl]ethanamine
PubChem CID107716051
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name1-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-fluorophenyl]ethanamine
SMILESCC(N)c1ccc(OCC2COc3ccccc32)cc1F
InChIInChI=1S/C17H18FNO2/c1-11(19)14-7-6-13(8-16(14)18)20-9-12-10-21-17-5-3-2-4-15(12)17/h2-8,11-12H,9-10,19H2,1H3
InChIKeySLIJFIIWMREEBX-UHFFFAOYSA-N
XLogP3.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-2-fluorophenyl]ethanamine
CID 107716339
(1R)-1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-fluorophenyl]ethanamine
CID 107718132
(1R)-1-[5-chloro-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]ethanamine
CID 79218495
1-[5-bromo-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]ethanamine
CID 79218487
1-[4-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine
CID 107715743
[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine
CID 79227118
4-[(3-fluoro-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 107171423
1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine
CID 107716078
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661
(1S)-1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]propan-1-amine
CID 79218494
2-chloro-5-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid
CID 106500778
2-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-fluorophenyl]ethanamine
CID 107692566

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-fluorophenyl]ethanamine?
The IUPAC name of 1-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-fluorophenyl]ethanamine (CID 107716051) is 1-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-fluorophenyl]ethanamine?
The canonical SMILES for 1-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-fluorophenyl]ethanamine is CC(N)c1ccc(OCC2COc3ccccc32)cc1F.
What is the InChIKey of 1-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-fluorophenyl]ethanamine?
The InChIKey is SLIJFIIWMREEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-11(19)14-7-6-13(8-16(14)18)20-9-12-10-21-17-5-3-2-4-15(12)17/h2-8,11-12H,9-10,19H2,1H3.
What are the key properties of 1-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-fluorophenyl]ethanamine?
1-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-fluorophenyl]ethanamine has a molecular weight of 287.33 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-fluorophenyl]ethanamine is sourced from PubChem (CID 107716051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).