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

C17H27NO — CID 115845362

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylhexan-1-amine
SMILESCCCC(C)CC(NCC)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H27NO/c1-4-6-13(3)11-16(18-5-2)14-7-8-17-15(12-14)9-10-19-17/h7-8,12-13,16,18H,4-6,9-11H2,1-3H3
InChIKeyVGPAQDYGNHYVGU-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.10
Rot. Bonds7

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

1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylhexan-1-amine (PubChem CID 115845362) 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-ethyl-3-methylhexan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylhexan-1-amine
PubChem CID115845362
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylhexan-1-amine
SMILESCCCC(C)CC(NCC)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H27NO/c1-4-6-13(3)11-16(18-5-2)14-7-8-17-15(12-14)9-10-19-17/h7-8,12-13,16,18H,4-6,9-11H2,1-3H3
InChIKeyVGPAQDYGNHYVGU-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105180141
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-ethylheptan-1-amine
CID 114752389
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-N',N'-dimethylethane-1,2-diamine
CID 104542703
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-N-propylbutan-1-amine
CID 43495458
1-(3,4-dihydro-2H-chromen-6-yl)-N-ethylpentan-1-amine
CID 61026967
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylbutan-1-amine
CID 62693058
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpentan-1-amine
CID 43210155
1-(3,4-dihydro-2H-chromen-6-yl)-N-ethyloctan-1-amine
CID 63503929
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine
CID 43756451
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-ethyl-3-methylhexan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylhexan-1-amine (CID 115845362) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylhexan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylhexan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylhexan-1-amine is CCCC(C)CC(NCC)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylhexan-1-amine?
The InChIKey is VGPAQDYGNHYVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-6-13(3)11-16(18-5-2)14-7-8-17-15(12-14)9-10-19-17/h7-8,12-13,16,18H,4-6,9-11H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylhexan-1-amine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylhexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.10, 7 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-ethyl-3-methylhexan-1-amine is sourced from PubChem (CID 115845362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).