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

C13H19NO3 — CID 113398857

IUPAC4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-2-ol
SMILESCNC1COc2cc(OCCC(C)O)ccc21
InChIInChI=1S/C13H19NO3/c1-9(15)5-6-16-10-3-4-11-12(14-2)8-17-13(11)7-10/h3-4,7,9,12,14-15H,5-6,8H2,1-2H3
InChIKeyMITNTLXHXDTBEF-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.49
Rot. Bonds5

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

4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-2-ol (PubChem CID 113398857) 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-2-ol.

Molecular Properties

Compound Name4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-2-ol
PubChem CID113398857
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-2-ol
SMILESCNC1COc2cc(OCCC(C)O)ccc21
InChIInChI=1S/C13H19NO3/c1-9(15)5-6-16-10-3-4-11-12(14-2)8-17-13(11)7-10/h3-4,7,9,12,14-15H,5-6,8H2,1-2H3
InChIKeyMITNTLXHXDTBEF-UHFFFAOYSA-N
XLogP1.49
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

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

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Related Compounds

N-methyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63095165
4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-1-ol
CID 63096736
6-(3,3-dimethylbutoxy)-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 63094976
6-[3-(dimethylamino)propoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 114524835
N-ethyl-6-(3-methylbutoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 55219020
N-methyl-6-pent-3-ynoxy-2,3-dihydro-1-benzofuran-3-amine
CID 104805129
N-methyl-6-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine
CID 63096218
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
2,2-dimethyl-6-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]hexanenitrile
CID 106708821
2-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]-N-pentan-3-ylacetamide
CID 63095853

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-2-ol?
The IUPAC name of 4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-2-ol (CID 113398857) is 4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-2-ol.
What is the SMILES notation for 4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-2-ol?
The canonical SMILES for 4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-2-ol is CNC1COc2cc(OCCC(C)O)ccc21.
What is the InChIKey of 4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-2-ol?
The InChIKey is MITNTLXHXDTBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(15)5-6-16-10-3-4-11-12(14-2)8-17-13(11)7-10/h3-4,7,9,12,14-15H,5-6,8H2,1-2H3.
What are the key properties of 4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-2-ol?
4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-2-ol has a molecular weight of 237.30 g/mol, XLogP of 1.49, 5 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-2-ol is sourced from PubChem (CID 113398857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).