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

C14H21NO — CID 104545182

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylbutan-1-amine
SMILESCCNCCC(C)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H21NO/c1-3-15-8-6-11(2)12-4-5-14-13(10-12)7-9-16-14/h4-5,10-11,15H,3,6-9H2,1-2H3
InChIKeyUDWUTWBWBCPUDH-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.72
Rot. Bonds5

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

3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylbutan-1-amine (PubChem CID 104545182) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylbutan-1-amine
PubChem CID104545182
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylbutan-1-amine
SMILESCCNCCC(C)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H21NO/c1-3-15-8-6-11(2)12-4-5-14-13(10-12)7-9-16-14/h4-5,10-11,15H,3,6-9H2,1-2H3
InChIKeyUDWUTWBWBCPUDH-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-methylpropyl)butan-1-amine
CID 104545189
5-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89176252
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-4-methylpentan-1-amine
CID 43489857
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethylbutan-1-amine
CID 115718022
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpentan-3-amine
CID 54954752
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 104518585
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylhexan-1-amine
CID 115845362
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylpentan-2-amine
CID 43775759
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine
CID 65446095
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115721971
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-N-propylbutan-1-amine
CID 43495458
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pent-4-yn-2-amine
CID 115725246

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylbutan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylbutan-1-amine (CID 104545182) is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylbutan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylbutan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylbutan-1-amine is CCNCCC(C)c1ccc2c(c1)CCO2.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylbutan-1-amine?
The InChIKey is UDWUTWBWBCPUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-15-8-6-11(2)12-4-5-14-13(10-12)7-9-16-14/h4-5,10-11,15H,3,6-9H2,1-2H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylbutan-1-amine?
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylbutan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.72, 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-ethylbutan-1-amine is sourced from PubChem (CID 104545182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).