3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine

C13H19NO — CID 65446095

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine
SMILESCCNCCCc1ccc2c(c1)CCO2
InChIInChI=1S/C13H19NO/c1-2-14-8-3-4-11-5-6-13-12(10-11)7-9-15-13/h5-6,10,14H,2-4,7-9H2,1H3
InChIKeyJKXPFJHOAMSBOE-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.16
Rot. Bonds5

About 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine

3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine (PubChem CID 65446095) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine
PubChem CID65446095
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine
SMILESCCNCCCc1ccc2c(c1)CCO2
InChIInChI=1S/C13H19NO/c1-2-14-8-3-4-11-5-6-13-12(10-11)7-9-15-13/h5-6,10,14H,2-4,7-9H2,1H3
InChIKeyJKXPFJHOAMSBOE-UHFFFAOYSA-N
XLogP2.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine 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

6-(3,4-dihydro-2H-chromen-6-yl)-N-ethylhexan-1-amine
CID 65306061
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethane-1,2-diamine
CID 65444450
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine
CID 64866852
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)hexan-1-amine
CID 43804174
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethylbutan-1-amine
CID 115756831
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-ethylpentan-1-amine
CID 65300764
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)ethanamine
CID 65431785
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 65445582
N-[[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexyl]methyl]ethanamine
CID 81028517
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-5-methylhexan-3-amine
CID 65447030
3-[[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]pentan-3-ol
CID 65446932
3-[4-[[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]phenyl]propan-1-amine
CID 143299498

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine (CID 65446095) is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine is CCNCCCc1ccc2c(c1)CCO2.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine?
The InChIKey is JKXPFJHOAMSBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-14-8-3-4-11-5-6-13-12(10-11)7-9-15-13/h5-6,10,14H,2-4,7-9H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine?
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine is sourced from PubChem (CID 65446095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).