[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol

C11H15NO2 — CID 115229208

IUPAC[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
SMILESCN(CO)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C11H15NO2/c1-12(8-13)7-9-2-3-11-10(6-9)4-5-14-11/h2-3,6,13H,4-5,7-8H2,1H3
InChIKeyHOKKEUIFYMSLJG-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.00
Rot. Bonds3

About [2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol

[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol (PubChem CID 115229208) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is [2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol.

Molecular Properties

Compound Name[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
PubChem CID115229208
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
SMILESCN(CO)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C11H15NO2/c1-12(8-13)7-9-2-3-11-10(6-9)4-5-14-11/h2-3,6,13H,4-5,7-8H2,1H3
InChIKeyHOKKEUIFYMSLJG-UHFFFAOYSA-N
XLogP1.00
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.00
H-Bond Donors ≤ 51
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

3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]propan-1-ol
CID 115216972
2-[[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methyl]butan-1-ol
CID 115250940
2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylacetamide
CID 115151665
[1,3-benzodioxol-5-ylmethyl(methyl)amino]methanol
CID 115229115
4-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]-3-methylbutanoic acid
CID 115220019
1-[3,4-dihydro-2H-chromen-6-ylmethyl(methyl)amino]-2-methylpropan-2-ol
CID 115137029
4-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]butanenitrile
CID 115231859
3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]-3-oxopropanoic acid
CID 115163484
2-chloro-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylethanamine
CID 115214963
2-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]-1-(4-methylpiperidin-1-yl)ethanone
CID 171323939
N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine
CID 115204974
5-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 11789614

Frequently Asked Questions

What is the IUPAC name of [2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol?
The IUPAC name of [2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol (CID 115229208) is [2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol.
What is the SMILES notation for [2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol?
The canonical SMILES for [2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol is CN(CO)Cc1ccc2c(c1)CCO2.
What is the InChIKey of [2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol?
The InChIKey is HOKKEUIFYMSLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-12(8-13)7-9-2-3-11-10(6-9)4-5-14-11/h2-3,6,13H,4-5,7-8H2,1H3.
What are the key properties of [2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol?
[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol has a molecular weight of 193.25 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol is sourced from PubChem (CID 115229208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).