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

C17H18FNO2 — CID 104794253

IUPAC1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CC(N)C2Cc3ccccc3O2)c1F
InChIInChI=1S/C17H18FNO2/c1-20-15-8-4-6-12(17(15)18)9-13(19)16-10-11-5-2-3-7-14(11)21-16/h2-8,13,16H,9-10,19H2,1H3
InChIKeyICHDJMMIZUJZBG-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.71
Rot. Bonds4

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

1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine (PubChem CID 104794253) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
PubChem CID104794253
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CC(N)C2Cc3ccccc3O2)c1F
InChIInChI=1S/C17H18FNO2/c1-20-15-8-4-6-12(17(15)18)9-13(19)16-10-11-5-2-3-7-14(11)21-16/h2-8,13,16H,9-10,19H2,1H3
InChIKeyICHDJMMIZUJZBG-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-3-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 104794252
2-(2-fluoro-3-methoxyphenyl)-1-(oxolan-3-yl)ethanamine
CID 104794025
2-(2-fluoro-3-methoxyphenyl)-1-(thiolan-2-yl)ethanamine
CID 104794195
4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine
CID 104792644
1-(1,4-dithian-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 104794151
2,3-dihydro-1-benzofuran-2-yl-(2,5-dimethoxyphenyl)methanamine
CID 43197229
1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine
CID 105035587
1-(2-ethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035625
1-[1-amino-2-(2-fluoro-3-methoxyphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 104794103
1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035659
3-(2-fluoro-3-methoxyphenyl)-2-phenylpropan-1-amine
CID 82812600
1-cyclopropyl-3-(2-fluoro-3-methoxyphenyl)propane-1,2-diol
CID 103456969

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine (CID 104794253) is 1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine is COc1cccc(CC(N)C2Cc3ccccc3O2)c1F.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine?
The InChIKey is ICHDJMMIZUJZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-20-15-8-4-6-12(17(15)18)9-13(19)16-10-11-5-2-3-7-14(11)21-16/h2-8,13,16H,9-10,19H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine?
1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine has a molecular weight of 287.33 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine is sourced from PubChem (CID 104794253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).