1-(1-benzofuran-2-yl)-N-ethyl-N-propylethane-1,2-diamine

C15H22N2O — CID 63898460

IUPAC1-(1-benzofuran-2-yl)-N-ethyl-N-propylethane-1,2-diamine
SMILESCCCN(CC)C(CN)c1cc2ccccc2o1
InChIInChI=1S/C15H22N2O/c1-3-9-17(4-2)13(11-16)15-10-12-7-5-6-8-14(12)18-15/h5-8,10,13H,3-4,9,11,16H2,1-2H3
InChIKeyXDUMNYLFPWJMKE-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.16
Rot. Bonds6

About 1-(1-benzofuran-2-yl)-N-ethyl-N-propylethane-1,2-diamine

1-(1-benzofuran-2-yl)-N-ethyl-N-propylethane-1,2-diamine (PubChem CID 63898460) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-ethyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-ethyl-N-propylethane-1,2-diamine
PubChem CID63898460
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(1-benzofuran-2-yl)-N-ethyl-N-propylethane-1,2-diamine
SMILESCCCN(CC)C(CN)c1cc2ccccc2o1
InChIInChI=1S/C15H22N2O/c1-3-9-17(4-2)13(11-16)15-10-12-7-5-6-8-14(12)18-15/h5-8,10,13H,3-4,9,11,16H2,1-2H3
InChIKeyXDUMNYLFPWJMKE-UHFFFAOYSA-N
XLogP3.16
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine
CID 63898650
1-(1-benzofuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
CID 63898659
1-(1-benzofuran-2-yl)-N-benzyl-N-methylethane-1,2-diamine
CID 63896231
(2R)-2-(1-benzofuran-2-yl)-2-methoxyethanamine
CID 94846259
1-(1-benzofuran-2-yl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 63896799
N-ethyl-1-(6-methoxynaphthalen-2-yl)-N-propylethane-1,2-diamine
CID 43268541
2-butan-2-yl-1-benzofuran
CID 12065919
1-(1-benzofuran-2-yl)-2-propoxyethanamine
CID 43247970
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
1-(1-benzofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 65383510
1-(1-benzofuran-2-yl)-2-(2-propoxyethoxy)ethanamine
CID 63685636
2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-propylamino]-2-oxoethyl]sulfanylacetamide
CID 94486660

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-ethyl-N-propylethane-1,2-diamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-ethyl-N-propylethane-1,2-diamine (CID 63898460) is 1-(1-benzofuran-2-yl)-N-ethyl-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-ethyl-N-propylethane-1,2-diamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-ethyl-N-propylethane-1,2-diamine is CCCN(CC)C(CN)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-ethyl-N-propylethane-1,2-diamine?
The InChIKey is XDUMNYLFPWJMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-9-17(4-2)13(11-16)15-10-12-7-5-6-8-14(12)18-15/h5-8,10,13H,3-4,9,11,16H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-ethyl-N-propylethane-1,2-diamine?
1-(1-benzofuran-2-yl)-N-ethyl-N-propylethane-1,2-diamine has a molecular weight of 246.35 g/mol, XLogP of 3.16, 6 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)-N-ethyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 63898460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).