N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-ethylethane-1,2-diamine

C14H22N2O — CID 65431778

IUPACN'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C14H22N2O/c1-2-16(9-7-15)8-5-12-3-4-14-13(11-12)6-10-17-14/h3-4,11H,2,5-10,15H2,1H3
InChIKeyWYNGQNGNNVOTTJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.44
Rot. Bonds6

About N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-ethylethane-1,2-diamine

N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-ethylethane-1,2-diamine (PubChem CID 65431778) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-ethylethane-1,2-diamine
PubChem CID65431778
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C14H22N2O/c1-2-16(9-7-15)8-5-12-3-4-14-13(11-12)6-10-17-14/h3-4,11H,2,5-10,15H2,1H3
InChIKeyWYNGQNGNNVOTTJ-UHFFFAOYSA-N
XLogP1.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-ethylamino]-N'-hydroxyethanimidamide
CID 77069714
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-pentan-3-ylethane-1,2-diamine
CID 65446713
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-methylmethanediamine
CID 115226278
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 65429176
2-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine
CID 79704796
3-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-N,3-dimethylbutane-1,3-diamine
CID 115135033
2-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 65429361
5-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentan-1-amine
CID 65300933
ethyl 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-propylamino]acetate
CID 65446307
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethane-1,2-diamine
CID 65444450
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136296
2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylcyanamide
CID 117043556

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-ethylethane-1,2-diamine?
The IUPAC name of N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-ethylethane-1,2-diamine (CID 65431778) is N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-ethylethane-1,2-diamine?
The canonical SMILES for N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-ethylethane-1,2-diamine is CCN(CCN)CCc1ccc2c(c1)CCO2.
What is the InChIKey of N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-ethylethane-1,2-diamine?
The InChIKey is WYNGQNGNNVOTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-16(9-7-15)8-5-12-3-4-14-13(11-12)6-10-17-14/h3-4,11H,2,5-10,15H2,1H3.
What are the key properties of N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-ethylethane-1,2-diamine?
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-ethylethane-1,2-diamine has a molecular weight of 234.34 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 65431778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).