N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-(2-methoxyethoxy)ethanamine

C14H21NO3 — CID 79226040

IUPACN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-(2-methoxyethoxy)ethanamine
SMILESCOCCOCCNCC1COc2ccccc21
InChIInChI=1S/C14H21NO3/c1-16-8-9-17-7-6-15-10-12-11-18-14-5-3-2-4-13(12)14/h2-5,12,15H,6-11H2,1H3
InChIKeyIGWYXLQATNCKQH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.42
Rot. Bonds8

About N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-(2-methoxyethoxy)ethanamine

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-(2-methoxyethoxy)ethanamine (PubChem CID 79226040) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-(2-methoxyethoxy)ethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-(2-methoxyethoxy)ethanamine
PubChem CID79226040
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-(2-methoxyethoxy)ethanamine
SMILESCOCCOCCNCC1COc2ccccc21
InChIInChI=1S/C14H21NO3/c1-16-8-9-17-7-6-15-10-12-11-18-14-5-3-2-4-13(12)14/h2-5,12,15H,6-11H2,1H3
InChIKeyIGWYXLQATNCKQH-UHFFFAOYSA-N
XLogP1.42
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
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)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405504
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-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 66418901
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-2H-chromen-4-ylmethyl)-4-methoxybutan-1-amine
CID 115756534
4-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-amine
CID 106844833
4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)butanamide
CID 79225953

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-(2-methoxyethoxy)ethanamine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-(2-methoxyethoxy)ethanamine (CID 79226040) is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-(2-methoxyethoxy)ethanamine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-(2-methoxyethoxy)ethanamine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-(2-methoxyethoxy)ethanamine is COCCOCCNCC1COc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-(2-methoxyethoxy)ethanamine?
The InChIKey is IGWYXLQATNCKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-16-8-9-17-7-6-15-10-12-11-18-14-5-3-2-4-13(12)14/h2-5,12,15H,6-11H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-(2-methoxyethoxy)ethanamine?
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-(2-methoxyethoxy)ethanamine has a molecular weight of 251.33 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 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)-2-(2-methoxyethoxy)ethanamine is sourced from PubChem (CID 79226040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).