2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)ethanamine

C14H21NO2 — CID 65431785

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCNCCc1ccc2c(c1)CCO2
InChIInChI=1S/C14H21NO2/c1-2-16-10-8-15-7-5-12-3-4-14-13(11-12)6-9-17-14/h3-4,11,15H,2,5-10H2,1H3
InChIKeyCWIRDFSUJVXSTH-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.79
Rot. Bonds7

About 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)ethanamine

2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)ethanamine (PubChem CID 65431785) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)ethanamine
PubChem CID65431785
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCNCCc1ccc2c(c1)CCO2
InChIInChI=1S/C14H21NO2/c1-2-16-10-8-15-7-5-12-3-4-14-13(11-12)6-9-17-14/h3-4,11,15H,2,5-10H2,1H3
InChIKeyCWIRDFSUJVXSTH-UHFFFAOYSA-N
XLogP1.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]ethyl carbamate
CID 83210158
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-phenoxyethyl)ethanamine
CID 65446343
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-ethylbutan-1-amine
CID 115756831
N-[2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethyl]-2-methoxyethanamine
CID 65305123
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 65445582
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylbutane-1,3-diamine
CID 115200827
3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]butan-1-amine
CID 65446335
3-[[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]pentan-3-ol
CID 65446932
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106429393
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine
CID 65446095
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(3-ethoxypropyl)-3-ethylguanidine;hydroiodide
CID 111562403

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)ethanamine?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)ethanamine (CID 65431785) is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)ethanamine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)ethanamine?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)ethanamine is CCOCCNCCc1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)ethanamine?
The InChIKey is CWIRDFSUJVXSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-16-10-8-15-7-5-12-3-4-14-13(11-12)6-9-17-14/h3-4,11,15H,2,5-10H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)ethanamine?
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)ethanamine has a molecular weight of 235.33 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)ethanamine is sourced from PubChem (CID 65431785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).