5-ethoxy-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine

C15H23NO2 — CID 83049821

IUPAC5-ethoxy-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2ccc(OCC)cc2C1NCC
InChIInChI=1S/C15H23NO2/c1-4-7-14-15(16-5-2)12-10-11(17-6-3)8-9-13(12)18-14/h8-10,14-16H,4-7H2,1-3H3
InChIKeyYNHKUOULEXRLJH-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.30
Rot. Bonds6

About 5-ethoxy-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine

5-ethoxy-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 83049821) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 5-ethoxy-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5-ethoxy-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID83049821
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name5-ethoxy-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2ccc(OCC)cc2C1NCC
InChIInChI=1S/C15H23NO2/c1-4-7-14-15(16-5-2)12-10-11(17-6-3)8-9-13(12)18-14/h8-10,14-16H,4-7H2,1-3H3
InChIKeyYNHKUOULEXRLJH-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-((2,2-Dimethyl-2,3-dihydro-benzofuran-7-yloxy)ethyl)-3-(cyclopent-1-enyl)benzylamine
CID 10248159
2-(2,5-Dimethoxyphenyl)pyrrolidine
CID 3489372
3-(2-Methoxy-5-trifluoromethoxy-phenyl)-6-phenyl-1-oxa-7-aza-spiro[4.5]dec-3-ene
CID 18782542
(2-Ethoxy-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrochloride
CID 2960040
N-ethyl-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine
CID 20038725
(3aS,9bS)-8-methoxy-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole
CID 155557042
1-(5-Methoxy-2,3-dihydro-1-benzofuran-4-yl)propan-2-amine
CID 11745828
1-(5-Methoxy-2,3-dihydro-1-benzofuran-6-yl)propan-2-amine
CID 13553507
N-[[3-(cyclopenten-1-yl)phenyl]methyl]-2-[(2-ethyl-2-methyl-3H-1-benzofuran-7-yl)oxy]ethanamine
CID 16109511
(4aR,9aS)-4a-ethyl-2,3,4,9a-tetrahydro-1H-[1]benzofuro[2,3-c]pyridin-6-ol
CID 44597323
(4aS,9aR)-4a-ethyl-2,3,4,9a-tetrahydro-1H-[1]benzofuro[2,3-c]pyridin-6-ol
CID 44597428
4-[2-(2,3-Dihydro-1-benzofuran-3-ylamino)ethyl]-2,5-dimethoxybenzonitrile
CID 168276822

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5-ethoxy-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 83049821) is 5-ethoxy-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5-ethoxy-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5-ethoxy-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCC1Oc2ccc(OCC)cc2C1NCC.
What is the InChIKey of 5-ethoxy-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is YNHKUOULEXRLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-7-14-15(16-5-2)12-10-11(17-6-3)8-9-13(12)18-14/h8-10,14-16H,4-7H2,1-3H3.
What are the key properties of 5-ethoxy-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
5-ethoxy-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 249.35 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 83049821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).