1-(1-benzofuran-2-yl)-1-N,2-N,2-N-triethyl-2-methylpropane-1,2-diamine

C18H28N2O — CID 114729538

IUPAC1-(1-benzofuran-2-yl)-1-N,2-N,2-N-triethyl-2-methylpropane-1,2-diamine
SMILESCCNC(c1cc2ccccc2o1)C(C)(C)N(CC)CC
InChIInChI=1S/C18H28N2O/c1-6-19-17(18(4,5)20(7-2)8-3)16-13-14-11-9-10-12-15(14)21-16/h9-13,17,19H,6-8H2,1-5H3
InChIKeyOXKOVMBQGCSLGT-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.20
Rot. Bonds7

About 1-(1-benzofuran-2-yl)-1-N,2-N,2-N-triethyl-2-methylpropane-1,2-diamine

1-(1-benzofuran-2-yl)-1-N,2-N,2-N-triethyl-2-methylpropane-1,2-diamine (PubChem CID 114729538) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-1-N,2-N,2-N-triethyl-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-1-N,2-N,2-N-triethyl-2-methylpropane-1,2-diamine
PubChem CID114729538
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-(1-benzofuran-2-yl)-1-N,2-N,2-N-triethyl-2-methylpropane-1,2-diamine
SMILESCCNC(c1cc2ccccc2o1)C(C)(C)N(CC)CC
InChIInChI=1S/C18H28N2O/c1-6-19-17(18(4,5)20(7-2)8-3)16-13-14-11-9-10-12-15(14)21-16/h9-13,17,19H,6-8H2,1-5H3
InChIKeyOXKOVMBQGCSLGT-UHFFFAOYSA-N
XLogP4.20
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 114728644
[1-(1-benzofuran-2-yl)-2-methoxy-2-methylpropyl]hydrazine
CID 105245571
1-(1-benzofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 64632858
1-(1-benzofuran-2-yl)-N-ethylhexan-1-amine
CID 63418453
N-[1-benzofuran-2-yl-(2,4-dimethylphenyl)methyl]ethanamine
CID 63091494
N-ethyl-1-benzofuran-2-amine;hydrochloride
CID 23165634
N-[1-benzofuran-2-yl-(2,5-dichlorophenyl)methyl]ethanamine
CID 63418365
N-[1-benzofuran-2-yl(2H-triazol-4-yl)methyl]ethanamine
CID 114730268
N-[1-benzofuran-2-yl-(2,5-dibromophenyl)methyl]ethanamine
CID 105044103
1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43203173
N-[1-benzofuran-2-yl-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 114728202
N-[1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 63091851

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-1-N,2-N,2-N-triethyl-2-methylpropane-1,2-diamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-1-N,2-N,2-N-triethyl-2-methylpropane-1,2-diamine (CID 114729538) is 1-(1-benzofuran-2-yl)-1-N,2-N,2-N-triethyl-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-1-N,2-N,2-N-triethyl-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-1-N,2-N,2-N-triethyl-2-methylpropane-1,2-diamine is CCNC(c1cc2ccccc2o1)C(C)(C)N(CC)CC.
What is the InChIKey of 1-(1-benzofuran-2-yl)-1-N,2-N,2-N-triethyl-2-methylpropane-1,2-diamine?
The InChIKey is OXKOVMBQGCSLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-6-19-17(18(4,5)20(7-2)8-3)16-13-14-11-9-10-12-15(14)21-16/h9-13,17,19H,6-8H2,1-5H3.
What are the key properties of 1-(1-benzofuran-2-yl)-1-N,2-N,2-N-triethyl-2-methylpropane-1,2-diamine?
1-(1-benzofuran-2-yl)-1-N,2-N,2-N-triethyl-2-methylpropane-1,2-diamine has a molecular weight of 288.43 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-1-N,2-N,2-N-triethyl-2-methylpropane-1,2-diamine is sourced from PubChem (CID 114729538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).