1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine

C17H24N2O — CID 103781695

IUPAC1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine
SMILESCC(NCC(C)N(C)C1CC1)c1cc2ccccc2o1
InChIInChI=1S/C17H24N2O/c1-12(19(3)15-8-9-15)11-18-13(2)17-10-14-6-4-5-7-16(14)20-17/h4-7,10,12-13,15,18H,8-9,11H2,1-3H3
InChIKeyUQWJCJNPPXYBAO-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.57
Rot. Bonds6

About 1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine

1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine (PubChem CID 103781695) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine
PubChem CID103781695
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine
SMILESCC(NCC(C)N(C)C1CC1)c1cc2ccccc2o1
InChIInChI=1S/C17H24N2O/c1-12(19(3)15-8-9-15)11-18-13(2)17-10-14-6-4-5-7-16(14)20-17/h4-7,10,12-13,15,18H,8-9,11H2,1-3H3
InChIKeyUQWJCJNPPXYBAO-UHFFFAOYSA-N
XLogP3.57
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[1-(1-benzofuran-2-yl)ethylamino]-3-ethylpentan-2-ol
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1-(1-benzofuran-2-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine
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1-(1-benzofuran-2-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine
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1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43203173
N-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine
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1-(1-benzofuran-2-yl)-N-(oxan-3-ylmethyl)ethanamine
CID 54906398
N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine
CID 43080080
1-(1-benzofuran-2-yl)-N-(2-cyclopentyloxyethyl)ethanamine
CID 63823703
1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine
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N-[1-(1-benzofuran-2-yl)ethyl]butan-2-amine
CID 43190306

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine (CID 103781695) is 1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine is CC(NCC(C)N(C)C1CC1)c1cc2ccccc2o1.
What is the InChIKey of 1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine?
The InChIKey is UQWJCJNPPXYBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12(19(3)15-8-9-15)11-18-13(2)17-10-14-6-4-5-7-16(14)20-17/h4-7,10,12-13,15,18H,8-9,11H2,1-3H3.
What are the key properties of 1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine?
1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine has a molecular weight of 272.39 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 103781695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).