2-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)ethanamine

C10H12FNO — CID 82374515

IUPAC2-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
SMILESNCCc1ccc2c(c1F)CCO2
InChIInChI=1S/C10H12FNO/c11-10-7(3-5-12)1-2-9-8(10)4-6-13-9/h1-2H,3-6,12H2
InChIKeyVHSMOYJDVQVMRX-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.26
Rot. Bonds2

About 2-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)ethanamine

2-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)ethanamine (PubChem CID 82374515) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
PubChem CID82374515
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name2-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
SMILESNCCc1ccc2c(c1F)CCO2
InChIInChI=1S/C10H12FNO/c11-10-7(3-5-12)1-2-9-8(10)4-6-13-9/h1-2H,3-6,12H2
InChIKeyVHSMOYJDVQVMRX-UHFFFAOYSA-N
XLogP1.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)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-fluoro-2,3-dihydro-1-benzofuran-5-yl)methanesulfonyl chloride
CID 117380021
4-fluoro-2,3-dihydro-1-benzofuran-5-amine
CID 82373061
4-fluoro-5-iodo-2,3-dihydro-1-benzofuran
CID 176929193
3-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropanoic acid
CID 117348785
(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 84769578
[1-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine
CID 117315929
3-(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine
CID 19611649
4-(2,3-dihydro-1-benzofuran-4-yl)butan-1-amine
CID 117282588
2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)acetic acid
CID 117285919
1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-2-one
CID 117284369
2-(7-benzyl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethanamine
CID 53239082
3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanoic acid
CID 117299962

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The IUPAC name of 2-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)ethanamine (CID 82374515) is 2-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)ethanamine.
What is the SMILES notation for 2-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The canonical SMILES for 2-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)ethanamine is NCCc1ccc2c(c1F)CCO2.
What is the InChIKey of 2-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The InChIKey is VHSMOYJDVQVMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-10-7(3-5-12)1-2-9-8(10)4-6-13-9/h1-2H,3-6,12H2.
What are the key properties of 2-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
2-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)ethanamine has a molecular weight of 181.21 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)ethanamine is sourced from PubChem (CID 82374515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).