N-(1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine

C15H22N2O — CID 28615423

IUPACN-(1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCc1cc2ccccc2o1
InChIInChI=1S/C15H22N2O/c1-3-17(4-2)10-9-16-12-14-11-13-7-5-6-8-15(13)18-14/h5-8,11,16H,3-4,9-10,12H2,1-2H3
InChIKeyFZQVZQOFARYHBR-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.86
Rot. Bonds7

About N-(1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine

N-(1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine (PubChem CID 28615423) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine
PubChem CID28615423
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCc1cc2ccccc2o1
InChIInChI=1S/C15H22N2O/c1-3-17(4-2)10-9-16-12-14-11-13-7-5-6-8-15(13)18-14/h5-8,11,16H,3-4,9-10,12H2,1-2H3
InChIKeyFZQVZQOFARYHBR-UHFFFAOYSA-N
XLogP2.86
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzofuran-2-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 28618146
N'-(1-benzofuran-2-ylmethyl)-N,N,N'-triethylethane-1,2-diamine
CID 30734803
N-(1-benzofuran-2-ylmethyl)-2-ethylsulfinylethanamine
CID 113237590
N-(1-benzofuran-2-ylmethyl)-2-(2-methylprop-2-enoxy)ethanamine
CID 115699157
ethyl 3-(1-benzofuran-2-ylmethylamino)propanoate
CID 53397244
N-(1-benzofuran-2-ylmethyl)-N',N'-diethyl-N-methyldecane-1,10-diamine;iodoethane
CID 45127733
3-[1-benzofuran-2-ylmethyl(ethyl)amino]propanoic acid
CID 65062614
N-(1-benzofuran-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine
CID 29276863
N-(1-benzofuran-2-ylmethyl)-1-(4-ethylcyclohexyl)methanamine
CID 63451959
N-(1-benzofuran-2-ylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 55201328
N-(1-benzofuran-2-ylmethyl)-2-cyclohexylethanamine
CID 63448343
N',N'-diethyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine;dihydrochloride
CID 17294534

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine (CID 28615423) is N-(1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNCc1cc2ccccc2o1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is FZQVZQOFARYHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-17(4-2)10-9-16-12-14-11-13-7-5-6-8-15(13)18-14/h5-8,11,16H,3-4,9-10,12H2,1-2H3.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine?
N-(1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 246.35 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 28615423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).