1-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N,N-dimethylmethanamine

C12H17NO2 — CID 116914533

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N,N-dimethylmethanamine
SMILESCOC(c1ccc2c(c1)CCO2)N(C)C
InChIInChI=1S/C12H17NO2/c1-13(2)12(14-3)10-4-5-11-9(8-10)6-7-15-11/h4-5,8,12H,6-7H2,1-3H3
InChIKeyWNQMEYRZPLDRHH-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.83
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N,N-dimethylmethanamine

1-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N,N-dimethylmethanamine (PubChem CID 116914533) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N,N-dimethylmethanamine
PubChem CID116914533
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N,N-dimethylmethanamine
SMILESCOC(c1ccc2c(c1)CCO2)N(C)C
InChIInChI=1S/C12H17NO2/c1-13(2)12(14-3)10-4-5-11-9(8-10)6-7-15-11/h4-5,8,12H,6-7H2,1-3H3
InChIKeyWNQMEYRZPLDRHH-UHFFFAOYSA-N
XLogP1.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dihydro-2H-chromen-6-yl)-1-methoxy-N,N-dimethylmethanamine
CID 116914506
2-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyacetaldehyde
CID 130690343
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethoxyethanamine
CID 104542714
5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran
CID 158005969
2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)acetonitrile
CID 43804562
3-(2,3-dihydro-1-benzofuran-5-yl)-3-(dimethylamino)-2-methylpropanoic acid
CID 116908097
[1-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxypropyl]hydrazine
CID 105247108
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyethanol
CID 79567949
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine
CID 116954398
2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43198470
2-[2,3-dihydro-1-benzofuran-5-yl(dimethylamino)methyl]butan-1-ol
CID 116913268
5-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89176252

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N,N-dimethylmethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N,N-dimethylmethanamine (CID 116914533) is 1-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N,N-dimethylmethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N,N-dimethylmethanamine is COC(c1ccc2c(c1)CCO2)N(C)C.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N,N-dimethylmethanamine?
The InChIKey is WNQMEYRZPLDRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-13(2)12(14-3)10-4-5-11-9(8-10)6-7-15-11/h4-5,8,12H,6-7H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N,N-dimethylmethanamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N,N-dimethylmethanamine has a molecular weight of 207.27 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N,N-dimethylmethanamine is sourced from PubChem (CID 116914533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).