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

C14H20N2O — CID 116905955

IUPAC1-(1-benzofuran-3-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine
SMILESCCNCC(c1coc2ccccc12)N(C)C
InChIInChI=1S/C14H20N2O/c1-4-15-9-13(16(2)3)12-10-17-14-8-6-5-7-11(12)14/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeyVBZHDTMEVNNFDH-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.64
Rot. Bonds5

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

1-(1-benzofuran-3-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine (PubChem CID 116905955) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine
PubChem CID116905955
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(1-benzofuran-3-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine
SMILESCCNCC(c1coc2ccccc12)N(C)C
InChIInChI=1S/C14H20N2O/c1-4-15-9-13(16(2)3)12-10-17-14-8-6-5-7-11(12)14/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeyVBZHDTMEVNNFDH-UHFFFAOYSA-N
XLogP2.64
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzofuran-3-yl)-3-(dimethylamino)propanenitrile
CID 116909994
1-(1-benzofuran-3-yl)-N,N-dimethylethanamine
CID 116914687
N'-(1-benzofuran-3-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 80701630
1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N,N-dimethylethanamine
CID 116914399
1-(1-benzofuran-3-yl)-N,N,2,2-tetramethylbutane-1,4-diamine
CID 116905700
N'-ethyl-N,N-dimethyl-1-(5-methylfuran-2-yl)ethane-1,2-diamine
CID 116905952
1-(1-benzofuran-3-yl)-N,N-dimethyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116912387
N'-(1-benzofuran-3-ylmethyl)-N-ethylpropane-1,3-diamine
CID 113410163
N-(1-benzofuran-3-ylmethyl)-2-(ethylamino)-N-methylacetamide
CID 115157997
3-benzhydryl-1-benzofuran
CID 53493031
1-[1-(aminomethyl)cyclopropyl]-1-(1-benzofuran-3-yl)-N,N-dimethylmethanamine
CID 116912315
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-oxochromene-3-carboxamide
CID 9117714

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine?
The IUPAC name of 1-(1-benzofuran-3-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine (CID 116905955) is 1-(1-benzofuran-3-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(1-benzofuran-3-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine is CCNCC(c1coc2ccccc12)N(C)C.
What is the InChIKey of 1-(1-benzofuran-3-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine?
The InChIKey is VBZHDTMEVNNFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-15-9-13(16(2)3)12-10-17-14-8-6-5-7-11(12)14/h5-8,10,13,15H,4,9H2,1-3H3.
What are the key properties of 1-(1-benzofuran-3-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine?
1-(1-benzofuran-3-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine has a molecular weight of 232.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 116905955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).