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

C14H22N2O — CID 104542703

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
SMILESCCNC(CN(C)C)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H22N2O/c1-4-15-13(10-16(2)3)11-5-6-14-12(9-11)7-8-17-14/h5-6,9,13,15H,4,7-8,10H2,1-3H3
InChIKeyQLFPRKTWUCZLOD-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.83
Rot. Bonds5

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

1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine (PubChem CID 104542703) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
PubChem CID104542703
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
SMILESCCNC(CN(C)C)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H22N2O/c1-4-15-13(10-16(2)3)11-5-6-14-12(9-11)7-8-17-14/h5-6,9,13,15H,4,7-8,10H2,1-3H3
InChIKeyQLFPRKTWUCZLOD-UHFFFAOYSA-N
XLogP1.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-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-4-methoxy-3-methylbutan-1-amine
CID 105180141
2-cyclohexylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethanamine
CID 104542586
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine
CID 43490454
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N',N'-trimethylpropane-1,3-diamine
CID 104542785
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine
CID 43756597
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-pyridin-3-ylethanamine
CID 104542511
N-[2,3-dihydro-1-benzofuran-5-yl(phenyl)methyl]ethanamine
CID 43489842
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine
CID 43756451

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine (CID 104542703) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine is CCNC(CN(C)C)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine?
The InChIKey is QLFPRKTWUCZLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-15-13(10-16(2)3)11-5-6-14-12(9-11)7-8-17-14/h5-6,9,13,15H,4,7-8,10H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine has a molecular weight of 234.34 g/mol, XLogP of 1.83, 5 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'-dimethylethane-1,2-diamine is sourced from PubChem (CID 104542703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).