1-(2,3-dihydro-1-benzofuran-2-yl)-3-ethylpentan-1-amine

C15H23NO — CID 82922849

IUPAC1-(2,3-dihydro-1-benzofuran-2-yl)-3-ethylpentan-1-amine
SMILESCCC(CC)CC(N)C1Cc2ccccc2O1
InChIInChI=1S/C15H23NO/c1-3-11(4-2)9-13(16)15-10-12-7-5-6-8-14(12)17-15/h5-8,11,13,15H,3-4,9-10,16H2,1-2H3
InChIKeyGIOTXKUFKHGSAA-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.14
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-2-yl)-3-ethylpentan-1-amine

1-(2,3-dihydro-1-benzofuran-2-yl)-3-ethylpentan-1-amine (PubChem CID 82922849) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-yl)-3-ethylpentan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-yl)-3-ethylpentan-1-amine
PubChem CID82922849
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-yl)-3-ethylpentan-1-amine
SMILESCCC(CC)CC(N)C1Cc2ccccc2O1
InChIInChI=1S/C15H23NO/c1-3-11(4-2)9-13(16)15-10-12-7-5-6-8-14(12)17-15/h5-8,11,13,15H,3-4,9-10,16H2,1-2H3
InChIKeyGIOTXKUFKHGSAA-UHFFFAOYSA-N
XLogP3.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutyl]hydrazine
CID 105262824
2-[(4-butan-2-ylphenyl)-chloromethyl]-2,3-dihydro-1-benzofuran
CID 63430500
2-[2-(chloromethyl)butyl]-2,3-dihydro-1-benzofuran
CID 66364657
1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 104794253
1-(2,3-dihydro-1-benzofuran-2-yl)heptylhydrazine
CID 105262982
N-ethyl-N-methyl-2,3-dihydro-1-benzofuran-2-amine
CID 70261253
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-ethylpentyl]hydrazine
CID 106602161
(2S)-2-methyl-2,3-dihydro-1-benzofuran
CID 7359194
[1-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbut-3-enyl]hydrazine
CID 105263013
2,3-dihydro-1-benzofuran-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623443
2,3-dihydro-1-benzofuran-2-yl-(5-ethylthiophen-2-yl)methanol
CID 61101558

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-3-ethylpentan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-3-ethylpentan-1-amine (CID 82922849) is 1-(2,3-dihydro-1-benzofuran-2-yl)-3-ethylpentan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-yl)-3-ethylpentan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-yl)-3-ethylpentan-1-amine is CCC(CC)CC(N)C1Cc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-yl)-3-ethylpentan-1-amine?
The InChIKey is GIOTXKUFKHGSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-11(4-2)9-13(16)15-10-12-7-5-6-8-14(12)17-15/h5-8,11,13,15H,3-4,9-10,16H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-yl)-3-ethylpentan-1-amine?
1-(2,3-dihydro-1-benzofuran-2-yl)-3-ethylpentan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-yl)-3-ethylpentan-1-amine is sourced from PubChem (CID 82922849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).