1-(1-benzofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine

C14H20N2O — CID 65383510

IUPAC1-(1-benzofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNC(CN)c1cc2ccccc2o1
InChIInChI=1S/C14H20N2O/c1-10(2)9-16-12(8-15)14-7-11-5-3-4-6-13(11)17-14/h3-7,10,12,16H,8-9,15H2,1-2H3
InChIKeyPPUKIMAVYCHOKK-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.68
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine

1-(1-benzofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 65383510) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID65383510
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(1-benzofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNC(CN)c1cc2ccccc2o1
InChIInChI=1S/C14H20N2O/c1-10(2)9-16-12(8-15)14-7-11-5-3-4-6-13(11)17-14/h3-7,10,12,16H,8-9,15H2,1-2H3
InChIKeyPPUKIMAVYCHOKK-UHFFFAOYSA-N
XLogP2.68
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(1-benzofuran-2-yl)-2-methoxyethanamine
CID 94846259
1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 65384977
1-(1-benzofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 114728644
1-(1-benzofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 64632858
1-(1-benzofuran-2-yl)-N-(3-bromo-5-methylphenyl)ethane-1,2-diamine
CID 107582891
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-methylpropyl)acetamide
CID 115574812
[1-(1-benzofuran-2-yl)-2-methoxypropyl]hydrazine
CID 105247149
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine
CID 43224187
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
2-butan-2-yl-1-benzofuran
CID 12065919
N-(1-amino-4-methylpentan-2-yl)-2-(1-benzofuran-2-yl)propanamide
CID 119587111
[1-(1-benzofuran-2-yl)-2-phenylethyl]hydrazine
CID 105195415

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine (CID 65383510) is 1-(1-benzofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine is CC(C)CNC(CN)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is PPUKIMAVYCHOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(2)9-16-12(8-15)14-7-11-5-3-4-6-13(11)17-14/h3-7,10,12,16H,8-9,15H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine?
1-(1-benzofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 232.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 65383510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).