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

C17H18FNO2 — CID 107692566

IUPAC2-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-fluorophenyl]ethanamine
SMILESNCCc1ccc(OCC2COc3ccccc32)c(F)c1
InChIInChI=1S/C17H18FNO2/c18-15-9-12(7-8-19)5-6-17(15)21-11-13-10-20-16-4-2-1-3-14(13)16/h1-6,9,13H,7-8,10-11,19H2
InChIKeySDIZYTIRKSSDER-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.88
Rot. Bonds5

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

2-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-fluorophenyl]ethanamine (PubChem CID 107692566) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-fluorophenyl]ethanamine
PubChem CID107692566
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name2-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-fluorophenyl]ethanamine
SMILESNCCc1ccc(OCC2COc3ccccc32)c(F)c1
InChIInChI=1S/C17H18FNO2/c18-15-9-12(7-8-19)5-6-17(15)21-11-13-10-20-16-4-2-1-3-14(13)16/h1-6,9,13H,7-8,10-11,19H2
InChIKeySDIZYTIRKSSDER-UHFFFAOYSA-N
XLogP2.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-fluorobenzenecarbothioamide
CID 107665832
[3-bromo-4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine
CID 79226329
3-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-methoxyaniline
CID 79226564
[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine
CID 79227118
(1R)-1-[5-chloro-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]ethanamine
CID 79218495
2-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]ethanamine
CID 170886569
3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzofuran
CID 81005013
O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine
CID 79426928
1-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-fluorophenyl]ethanamine
CID 107716051
1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-fluorophenyl]ethanone
CID 79218922
2-[4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-3-fluorophenyl]ethanamine
CID 107692846
(1S)-1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]propan-1-amine
CID 79218494

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-fluorophenyl]ethanamine?
The IUPAC name of 2-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-fluorophenyl]ethanamine (CID 107692566) is 2-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-fluorophenyl]ethanamine?
The canonical SMILES for 2-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-fluorophenyl]ethanamine is NCCc1ccc(OCC2COc3ccccc32)c(F)c1.
What is the InChIKey of 2-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-fluorophenyl]ethanamine?
The InChIKey is SDIZYTIRKSSDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c18-15-9-12(7-8-19)5-6-17(15)21-11-13-10-20-16-4-2-1-3-14(13)16/h1-6,9,13H,7-8,10-11,19H2.
What are the key properties of 2-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-fluorophenyl]ethanamine?
2-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-fluorophenyl]ethanamine has a molecular weight of 287.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-fluorophenyl]ethanamine is sourced from PubChem (CID 107692566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).