1-(1-benzofuran-2-yl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine

C17H26N2O2 — CID 63695788

IUPAC1-(1-benzofuran-2-yl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
SMILESCCOCCN(CC)CC(NC)c1cc2ccccc2o1
InChIInChI=1S/C17H26N2O2/c1-4-19(10-11-20-5-2)13-15(18-3)17-12-14-8-6-7-9-16(14)21-17/h6-9,12,15,18H,4-5,10-11,13H2,1-3H3
InChIKeyVFFVQNSTJVJVNP-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.05
Rot. Bonds9

About 1-(1-benzofuran-2-yl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine

1-(1-benzofuran-2-yl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine (PubChem CID 63695788) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
PubChem CID63695788
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(1-benzofuran-2-yl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
SMILESCCOCCN(CC)CC(NC)c1cc2ccccc2o1
InChIInChI=1S/C17H26N2O2/c1-4-19(10-11-20-5-2)13-15(18-3)17-12-14-8-6-7-9-16(14)21-17/h6-9,12,15,18H,4-5,10-11,13H2,1-3H3
InChIKeyVFFVQNSTJVJVNP-UHFFFAOYSA-N
XLogP3.05
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 63697542
1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine
CID 43403744
1-(1-benzofuran-2-yl)-4-methoxy-N-methylbutan-1-amine
CID 115608859
1-(1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105184842
1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine
CID 64615500
1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine
CID 61064024
1-(1-benzofuran-2-yl)-N-methyldecan-1-amine
CID 63418238
1-(1-benzofuran-2-yl)-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 62983956
1-(1-benzofuran-2-yl)-N'-(cyclobutylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 62862357
1-(1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
CID 79444773
1-(1-benzofuran-2-yl)-N,3-dimethylbut-3-en-1-amine
CID 79185588
1-(1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876336

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine (CID 63695788) is 1-(1-benzofuran-2-yl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine is CCOCCN(CC)CC(NC)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine?
The InChIKey is VFFVQNSTJVJVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-19(10-11-20-5-2)13-15(18-3)17-12-14-8-6-7-9-16(14)21-17/h6-9,12,15,18H,4-5,10-11,13H2,1-3H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine?
1-(1-benzofuran-2-yl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine has a molecular weight of 290.41 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 63695788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).