1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-2-methylpropan-2-amine

C14H21NO2 — CID 65444502

IUPAC1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-2-methylpropan-2-amine
SMILESCC(C)(N)COCCc1ccc2c(c1)CCO2
InChIInChI=1S/C14H21NO2/c1-14(2,15)10-16-7-5-11-3-4-13-12(9-11)6-8-17-13/h3-4,9H,5-8,10,15H2,1-2H3
InChIKeyGEYYTEOJXVSCQZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.92
Rot. Bonds5

About 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-2-methylpropan-2-amine

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-2-methylpropan-2-amine (PubChem CID 65444502) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-2-methylpropan-2-amine
PubChem CID65444502
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-2-methylpropan-2-amine
SMILESCC(C)(N)COCCc1ccc2c(c1)CCO2
InChIInChI=1S/C14H21NO2/c1-14(2,15)10-16-7-5-11-3-4-13-12(9-11)6-8-17-13/h3-4,9H,5-8,10,15H2,1-2H3
InChIKeyGEYYTEOJXVSCQZ-UHFFFAOYSA-N
XLogP1.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136296
2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethanamine
CID 65305296
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylbutane-1,3-diamine
CID 115200827
O-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydroxylamine
CID 83698233
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine
CID 64866852
2-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 65429361
N-[2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethyl]-2-methoxyethanamine
CID 65305123
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-methylmethanediamine
CID 115226278
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylbut-3-yn-2-amine
CID 65446355
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)ethanamine
CID 65431785
3-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-N,3-dimethylbutane-1,3-diamine
CID 115135033
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-4-methylaniline
CID 65430638

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-2-methylpropan-2-amine?
The IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-2-methylpropan-2-amine (CID 65444502) is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-2-methylpropan-2-amine?
The canonical SMILES for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-2-methylpropan-2-amine is CC(C)(N)COCCc1ccc2c(c1)CCO2.
What is the InChIKey of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-2-methylpropan-2-amine?
The InChIKey is GEYYTEOJXVSCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2,15)10-16-7-5-11-3-4-13-12(9-11)6-8-17-13/h3-4,9H,5-8,10,15H2,1-2H3.
What are the key properties of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-2-methylpropan-2-amine?
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-2-methylpropan-2-amine has a molecular weight of 235.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-2-methylpropan-2-amine is sourced from PubChem (CID 65444502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).