1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine

C15H24N2O — CID 113425129

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
SMILESCCNC(CCN(C)C)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H24N2O/c1-4-16-14(7-9-17(2)3)12-5-6-15-13(11-12)8-10-18-15/h5-6,11,14,16H,4,7-10H2,1-3H3
InChIKeyHOQPYSDIMOSKFO-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.22
Rot. Bonds6

About 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine

1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine (PubChem CID 113425129) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
PubChem CID113425129
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
SMILESCCNC(CCN(C)C)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H24N2O/c1-4-16-14(7-9-17(2)3)12-5-6-15-13(11-12)8-10-18-15/h5-6,11,14,16H,4,7-10H2,1-3H3
InChIKeyHOQPYSDIMOSKFO-UHFFFAOYSA-N
XLogP2.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-N,N',N'-trimethylpropane-1,3-diamine
CID 104542785
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)-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-3-methylhexan-1-amine
CID 115845362
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115856908
1-(3,4-dihydro-2H-chromen-6-yl)-N-ethylpentan-1-amine
CID 61026967
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105180141
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
2-cyclohexylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethanamine
CID 104542586

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine (CID 113425129) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine is CCNC(CCN(C)C)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is HOQPYSDIMOSKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-16-14(7-9-17(2)3)12-5-6-15-13(11-12)8-10-18-15/h5-6,11,14,16H,4,7-10H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 113425129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).