N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine

C14H22N2O2 — CID 113405504

IUPACN'-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCNCCNCC1COc2ccccc21
InChIInChI=1S/C14H22N2O2/c1-17-9-8-15-6-7-16-10-12-11-18-14-5-3-2-4-13(12)14/h2-5,12,15-16H,6-11H2,1H3
InChIKeyXKKGELAOADKOQH-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.99
Rot. Bonds8

About N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine

N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 113405504) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine
PubChem CID113405504
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN'-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCNCCNCC1COc2ccccc21
InChIInChI=1S/C14H22N2O2/c1-17-9-8-15-6-7-16-10-12-11-18-14-5-3-2-4-13(12)14/h2-5,12,15-16H,6-11H2,1H3
InChIKeyXKKGELAOADKOQH-UHFFFAOYSA-N
XLogP0.99
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.99
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-dihydro-1-benzofuran-3-ylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 79226040
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methoxybutan-1-amine
CID 79227067
4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-methoxybutan-2-ol
CID 114163594
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methoxy-2-methylpropan-1-amine
CID 79227069
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol
CID 79226581
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 79226973
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine
CID 79226752
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-dimethylbutane-1,4-diamine
CID 79227145
N-(3,4-dihydro-1H-isochromen-4-ylmethyl)-2-methoxyethanamine
CID 107150350
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methoxybutan-1-amine
CID 115756534
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 79219911
4-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-amine
CID 106844833

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine (CID 113405504) is N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine is COCCNCCNCC1COc2ccccc21.
What is the InChIKey of N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is XKKGELAOADKOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-17-9-8-15-6-7-16-10-12-11-18-14-5-3-2-4-13(12)14/h2-5,12,15-16H,6-11H2,1H3.
What are the key properties of N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 250.34 g/mol, XLogP of 0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 113405504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).