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

C17H27NO — CID 114752389

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylheptan-1-amine
SMILESCCCCCCC(NCC)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H27NO/c1-3-5-6-7-8-16(18-4-2)14-9-10-17-15(13-14)11-12-19-17/h9-10,13,16,18H,3-8,11-12H2,1-2H3
InChIKeyMMHNJVKHNNDVNR-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.24
Rot. Bonds8

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

1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylheptan-1-amine (PubChem CID 114752389) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylheptan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylheptan-1-amine
PubChem CID114752389
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylheptan-1-amine
SMILESCCCCCCC(NCC)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H27NO/c1-3-5-6-7-8-16(18-4-2)14-9-10-17-15(13-14)11-12-19-17/h9-10,13,16,18H,3-8,11-12H2,1-2H3
InChIKeyMMHNJVKHNNDVNR-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.24
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

1-(3,4-dihydro-2H-chromen-6-yl)-N-ethyloctan-1-amine
CID 63503929
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylnonan-1-amine
CID 65450080
1-(2,3-dihydro-1-benzofuran-5-yl)decylhydrazine
CID 105293354
1-(3,4-dihydro-2H-chromen-6-yl)-N-ethylpentan-1-amine
CID 61026967
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyloctan-1-amine
CID 43490459
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-4-methylpentan-1-amine
CID 43489857
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 113425129
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylhexan-1-amine
CID 115845362
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 104542703
1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol
CID 61099251
1-(2,3-dihydro-1H-inden-5-yl)-N-ethylheptan-1-amine
CID 114752406
3-(2,3-dihydro-1-benzofuran-5-yl)-3-(propylamino)propan-1-ol
CID 65234969

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylheptan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylheptan-1-amine (CID 114752389) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylheptan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylheptan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylheptan-1-amine is CCCCCCC(NCC)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylheptan-1-amine?
The InChIKey is MMHNJVKHNNDVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-5-6-7-8-16(18-4-2)14-9-10-17-15(13-14)11-12-19-17/h9-10,13,16,18H,3-8,11-12H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylheptan-1-amine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylheptan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.24, 8 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-5-yl)-N-ethylheptan-1-amine is sourced from PubChem (CID 114752389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).