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

C14H21N3O2 — CID 77069714

IUPAC2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-ethylamino]-N'-hydroxyethanimidamide
SMILESCCN(CCc1ccc2c(c1)CCO2)CC(N)=NO
InChIInChI=1S/C14H21N3O2/c1-2-17(10-14(15)16-18)7-5-11-3-4-13-12(9-11)6-8-19-13/h3-4,9,18H,2,5-8,10H2,1H3,(H2,15,16)
InChIKeyFMZHRTKODWRLHS-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.23
Rot. Bonds6

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

2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-ethylamino]-N'-hydroxyethanimidamide (PubChem CID 77069714) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-ethylamino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-ethylamino]-N'-hydroxyethanimidamide
PubChem CID77069714
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-ethylamino]-N'-hydroxyethanimidamide
SMILESCCN(CCc1ccc2c(c1)CCO2)CC(N)=NO
InChIInChI=1S/C14H21N3O2/c1-2-17(10-14(15)16-18)7-5-11-3-4-13-12(9-11)6-8-19-13/h3-4,9,18H,2,5-8,10H2,1H3,(H2,15,16)
InChIKeyFMZHRTKODWRLHS-UHFFFAOYSA-N
XLogP1.23
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-ethylethane-1,2-diamine
CID 65431778
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]-N'-methylmethanediamine
CID 115226278
2-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine
CID 79704796
2-(3,4-dihydro-2H-chromen-6-yl)-N'-hydroxyethanimidamide
CID 83882758
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 65429176
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-(2-methoxyethyl)amino]ethanol
CID 115665475
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-methylcarbamoyl bromide
CID 115194145
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136296
2-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 65429361
3-amino-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylurea
CID 115193085
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-pentan-3-ylethane-1,2-diamine
CID 65446713

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-ethylamino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-ethylamino]-N'-hydroxyethanimidamide (CID 77069714) is 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-ethylamino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-ethylamino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-ethylamino]-N'-hydroxyethanimidamide is CCN(CCc1ccc2c(c1)CCO2)CC(N)=NO.
What is the InChIKey of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-ethylamino]-N'-hydroxyethanimidamide?
The InChIKey is FMZHRTKODWRLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-17(10-14(15)16-18)7-5-11-3-4-13-12(9-11)6-8-19-13/h3-4,9,18H,2,5-8,10H2,1H3,(H2,15,16).
What are the key properties of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-ethylamino]-N'-hydroxyethanimidamide?
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-ethylamino]-N'-hydroxyethanimidamide has a molecular weight of 263.34 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-ethylamino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77069714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).