4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-1-ol

C13H19NO3 — CID 63096736

IUPAC4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-1-ol
SMILESCNC1COc2cc(OCCCCO)ccc21
InChIInChI=1S/C13H19NO3/c1-14-12-9-17-13-8-10(4-5-11(12)13)16-7-3-2-6-15/h4-5,8,12,14-15H,2-3,6-7,9H2,1H3
InChIKeyIWMBYVUVCYLITN-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.49
Rot. Bonds6

About 4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-1-ol

4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-1-ol (PubChem CID 63096736) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-1-ol.

Molecular Properties

Compound Name4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-1-ol
PubChem CID63096736
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-1-ol
SMILESCNC1COc2cc(OCCCCO)ccc21
InChIInChI=1S/C13H19NO3/c1-14-12-9-17-13-8-10(4-5-11(12)13)16-7-3-2-6-15/h4-5,8,12,14-15H,2-3,6-7,9H2,1H3
InChIKeyIWMBYVUVCYLITN-UHFFFAOYSA-N
XLogP1.49
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63095165
6-[3-(dimethylamino)propoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 114524835
4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-2-ol
CID 113398857
6-(3,3-dimethylbutoxy)-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 63094976
2,2-dimethyl-6-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]hexanenitrile
CID 106708821
N-methyl-6-pent-3-ynoxy-2,3-dihydro-1-benzofuran-3-amine
CID 104805129
N-methyl-6-(2-methylidenebutoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 66044717
N-methyl-6-(2-pyridin-2-ylethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63095507
ethyl 2-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetate
CID 63094984
N-methyl-6-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63094974
5-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pentan-1-ol
CID 107683313
N-methyl-6-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine
CID 63096218

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-1-ol?
The IUPAC name of 4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-1-ol (CID 63096736) is 4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-1-ol.
What is the SMILES notation for 4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-1-ol?
The canonical SMILES for 4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-1-ol is CNC1COc2cc(OCCCCO)ccc21.
What is the InChIKey of 4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-1-ol?
The InChIKey is IWMBYVUVCYLITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-14-12-9-17-13-8-10(4-5-11(12)13)16-7-3-2-6-15/h4-5,8,12,14-15H,2-3,6-7,9H2,1H3.
What are the key properties of 4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-1-ol?
4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-1-ol has a molecular weight of 237.30 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-1-ol is sourced from PubChem (CID 63096736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).