1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethoxyethanamine

C12H17NO3 — CID 104542714

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethoxyethanamine
SMILESCOC(OC)C(N)c1ccc2c(c1)CCO2
InChIInChI=1S/C12H17NO3/c1-14-12(15-2)11(13)9-3-4-10-8(7-9)5-6-16-10/h3-4,7,11-12H,5-6,13H2,1-2H3
InChIKeyXTCWBPYOZDAXRE-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.24
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethoxyethanamine

1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethoxyethanamine (PubChem CID 104542714) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethoxyethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethoxyethanamine
PubChem CID104542714
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethoxyethanamine
SMILESCOC(OC)C(N)c1ccc2c(c1)CCO2
InChIInChI=1S/C12H17NO3/c1-14-12(15-2)11(13)9-3-4-10-8(7-9)5-6-16-10/h3-4,7,11-12H,5-6,13H2,1-2H3
InChIKeyXTCWBPYOZDAXRE-UHFFFAOYSA-N
XLogP1.24
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine
CID 43198449
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine;hydrochloride
CID 171202505
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-amine;hydrochloride
CID 86263152
1-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N,N-dimethylmethanamine
CID 116914533
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpentan-1-amine
CID 43210155
1-(2,3-dihydro-1-benzofuran-5-yl)-2-propylpentan-1-amine
CID 82984024
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 43198411
2,3-diamino-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 116942432
[1-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxypropyl]hydrazine
CID 105247108
2-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyacetaldehyde
CID 130690343
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine
CID 43198444
2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43198470

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethoxyethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethoxyethanamine (CID 104542714) is 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethoxyethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethoxyethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethoxyethanamine is COC(OC)C(N)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethoxyethanamine?
The InChIKey is XTCWBPYOZDAXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-14-12(15-2)11(13)9-3-4-10-8(7-9)5-6-16-10/h3-4,7,11-12H,5-6,13H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethoxyethanamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethoxyethanamine has a molecular weight of 223.27 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethoxyethanamine is sourced from PubChem (CID 104542714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).