N-ethyl-N',N'-dimethyl-1-(7-methyl-1-benzofuran-2-yl)ethane-1,2-diamine

C15H22N2O — CID 114729711

IUPACN-ethyl-N',N'-dimethyl-1-(7-methyl-1-benzofuran-2-yl)ethane-1,2-diamine
SMILESCCNC(CN(C)C)c1cc2cccc(C)c2o1
InChIInChI=1S/C15H22N2O/c1-5-16-13(10-17(3)4)14-9-12-8-6-7-11(2)15(12)18-14/h6-9,13,16H,5,10H2,1-4H3
InChIKeyVNXNHCBSGXYBNC-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.95
Rot. Bonds5

About N-ethyl-N',N'-dimethyl-1-(7-methyl-1-benzofuran-2-yl)ethane-1,2-diamine

N-ethyl-N',N'-dimethyl-1-(7-methyl-1-benzofuran-2-yl)ethane-1,2-diamine (PubChem CID 114729711) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-ethyl-N',N'-dimethyl-1-(7-methyl-1-benzofuran-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N',N'-dimethyl-1-(7-methyl-1-benzofuran-2-yl)ethane-1,2-diamine
PubChem CID114729711
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-ethyl-N',N'-dimethyl-1-(7-methyl-1-benzofuran-2-yl)ethane-1,2-diamine
SMILESCCNC(CN(C)C)c1cc2cccc(C)c2o1
InChIInChI=1S/C15H22N2O/c1-5-16-13(10-17(3)4)14-9-12-8-6-7-11(2)15(12)18-14/h6-9,13,16H,5,10H2,1-4H3
InChIKeyVNXNHCBSGXYBNC-UHFFFAOYSA-N
XLogP2.95
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine
CID 65441133
N-ethyl-3-methyl-1-(7-methyl-1-benzofuran-2-yl)pentan-1-amine
CID 105045521
2-(cyclohexen-1-yl)-N-ethyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 114731034
N-[(7-methyl-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 105045567
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 114730512
2-cyclopropyl-N-ethyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 105045508
1-(2,3-dimethylphenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 79092443
1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440950
N-ethyl-4-methyl-4-(7-methyl-1-benzofuran-2-yl)pentan-2-amine
CID 114733597
[2-ethoxy-1-(7-methyl-1-benzofuran-2-yl)ethyl]hydrazine
CID 105235204
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-4-methylpentan-1-amine
CID 114728128
N-[1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfonylethyl]propan-1-amine
CID 105045409

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N',N'-dimethyl-1-(7-methyl-1-benzofuran-2-yl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-N',N'-dimethyl-1-(7-methyl-1-benzofuran-2-yl)ethane-1,2-diamine (CID 114729711) is N-ethyl-N',N'-dimethyl-1-(7-methyl-1-benzofuran-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N',N'-dimethyl-1-(7-methyl-1-benzofuran-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N',N'-dimethyl-1-(7-methyl-1-benzofuran-2-yl)ethane-1,2-diamine is CCNC(CN(C)C)c1cc2cccc(C)c2o1.
What is the InChIKey of N-ethyl-N',N'-dimethyl-1-(7-methyl-1-benzofuran-2-yl)ethane-1,2-diamine?
The InChIKey is VNXNHCBSGXYBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-5-16-13(10-17(3)4)14-9-12-8-6-7-11(2)15(12)18-14/h6-9,13,16H,5,10H2,1-4H3.
What are the key properties of N-ethyl-N',N'-dimethyl-1-(7-methyl-1-benzofuran-2-yl)ethane-1,2-diamine?
N-ethyl-N',N'-dimethyl-1-(7-methyl-1-benzofuran-2-yl)ethane-1,2-diamine has a molecular weight of 246.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N',N'-dimethyl-1-(7-methyl-1-benzofuran-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 114729711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).