N'-[2-(1-benzofuran-5-yloxy)ethyl]ethane-1,2-diamine

C12H16N2O2 — CID 69274959

IUPACN'-[2-(1-benzofuran-5-yloxy)ethyl]ethane-1,2-diamine
SMILESNCCNCCOc1ccc2occc2c1
InChIInChI=1S/C12H16N2O2/c13-4-5-14-6-8-15-11-1-2-12-10(9-11)3-7-16-12/h1-3,7,9,14H,4-6,8,13H2
InChIKeyLNBIXKKIAYQHII-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.36
Rot. Bonds6

About N'-[2-(1-benzofuran-5-yloxy)ethyl]ethane-1,2-diamine

N'-[2-(1-benzofuran-5-yloxy)ethyl]ethane-1,2-diamine (PubChem CID 69274959) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N'-[2-(1-benzofuran-5-yloxy)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(1-benzofuran-5-yloxy)ethyl]ethane-1,2-diamine
PubChem CID69274959
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN'-[2-(1-benzofuran-5-yloxy)ethyl]ethane-1,2-diamine
SMILESNCCNCCOc1ccc2occc2c1
InChIInChI=1S/C12H16N2O2/c13-4-5-14-6-8-15-11-1-2-12-10(9-11)3-7-16-12/h1-3,7,9,14H,4-6,8,13H2
InChIKeyLNBIXKKIAYQHII-UHFFFAOYSA-N
XLogP1.36
TPSA60.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(3-methoxyphenoxy)ethyl]ethane-1,2-diamine
CID 82339456
4-[2-(2-aminoethylamino)ethoxy]benzonitrile
CID 69276381
N'-[2-(3,4-dichlorophenoxy)ethyl]propane-1,3-diamine
CID 2977619
methane;5-methoxy-1-benzofuran
CID 160759261
2-[3-[2-(1-benzofuran-5-yl)ethoxy]propylamino]ethanol
CID 139922988
3-(1-benzofuran-5-yloxymethyl)azetidine
CID 84671433
N'-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2280947
N'-[2-(4-methoxyphenoxy)ethyl]hexane-1,6-diamine
CID 83960627
(3R,4S,5R,6R)-4-[8-(1-benzofuran-5-yloxy)octoxy]-6-(hydroxymethyl)oxane-2,3,5-triol
CID 166517515
1-benzofuran-5-ylmethanamine
CID 2795182
N'-[2-(3-bromophenoxy)ethyl]ethane-1,2-diamine;oxalic acid
CID 2923572
N'-[2-[2-(4-iodophenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2280836

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-benzofuran-5-yloxy)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(1-benzofuran-5-yloxy)ethyl]ethane-1,2-diamine (CID 69274959) is N'-[2-(1-benzofuran-5-yloxy)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(1-benzofuran-5-yloxy)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(1-benzofuran-5-yloxy)ethyl]ethane-1,2-diamine is NCCNCCOc1ccc2occc2c1.
What is the InChIKey of N'-[2-(1-benzofuran-5-yloxy)ethyl]ethane-1,2-diamine?
The InChIKey is LNBIXKKIAYQHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-4-5-14-6-8-15-11-1-2-12-10(9-11)3-7-16-12/h1-3,7,9,14H,4-6,8,13H2.
What are the key properties of N'-[2-(1-benzofuran-5-yloxy)ethyl]ethane-1,2-diamine?
N'-[2-(1-benzofuran-5-yloxy)ethyl]ethane-1,2-diamine has a molecular weight of 220.27 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-benzofuran-5-yloxy)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 69274959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).