1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-yloxyethanamine

C13H19NO2 — CID 105189364

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-yloxyethanamine
SMILESCC(C)OCC(N)c1cccc2c1OCC2
InChIInChI=1S/C13H19NO2/c1-9(2)16-8-12(14)11-5-3-4-10-6-7-15-13(10)11/h3-5,9,12H,6-8,14H2,1-2H3
InChIKeyCHKMDEYORVFJIV-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.05
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-yloxyethanamine

1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-yloxyethanamine (PubChem CID 105189364) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-yloxyethanamine
PubChem CID105189364
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-yloxyethanamine
SMILESCC(C)OCC(N)c1cccc2c1OCC2
InChIInChI=1S/C13H19NO2/c1-9(2)16-8-12(14)11-5-3-4-10-6-7-15-13(10)11/h3-5,9,12H,6-8,14H2,1-2H3
InChIKeyCHKMDEYORVFJIV-UHFFFAOYSA-N
XLogP2.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-1-amine
CID 114745358
1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114744902
1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-dimethylpropane-1,3-diamine
CID 114745997
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfonylethanamine
CID 105053313
7-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89030364
1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-diethylpropane-1,3-diamine
CID 114745726
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(2-methylphenyl)ethanamine
CID 114745152
1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 68614116
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)ethanamine
CID 114745163
1-(3,4-dihydro-2H-chromen-8-yl)-3-methoxypropan-1-amine
CID 114745115
[1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethoxypropyl]hydrazine
CID 105223043
4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine
CID 114746964

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-yloxyethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-yloxyethanamine (CID 105189364) is 1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-yloxyethanamine is CC(C)OCC(N)c1cccc2c1OCC2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-yloxyethanamine?
The InChIKey is CHKMDEYORVFJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9(2)16-8-12(14)11-5-3-4-10-6-7-15-13(10)11/h3-5,9,12H,6-8,14H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-yloxyethanamine?
1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-yloxyethanamine has a molecular weight of 221.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-yloxyethanamine is sourced from PubChem (CID 105189364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).