2-[2,3-dihydro-1-benzofuran-5-yl(dimethylamino)methyl]butan-1-ol

C15H23NO2 — CID 116913268

IUPAC2-[2,3-dihydro-1-benzofuran-5-yl(dimethylamino)methyl]butan-1-ol
SMILESCCC(CO)C(c1ccc2c(c1)CCO2)N(C)C
InChIInChI=1S/C15H23NO2/c1-4-11(10-17)15(16(2)3)13-5-6-14-12(9-13)7-8-18-14/h5-6,9,11,15,17H,4,7-8,10H2,1-3H3
InChIKeyIHROJNMRQSMHDX-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.24
Rot. Bonds5

About 2-[2,3-dihydro-1-benzofuran-5-yl(dimethylamino)methyl]butan-1-ol

2-[2,3-dihydro-1-benzofuran-5-yl(dimethylamino)methyl]butan-1-ol (PubChem CID 116913268) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[2,3-dihydro-1-benzofuran-5-yl(dimethylamino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-[2,3-dihydro-1-benzofuran-5-yl(dimethylamino)methyl]butan-1-ol
PubChem CID116913268
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[2,3-dihydro-1-benzofuran-5-yl(dimethylamino)methyl]butan-1-ol
SMILESCCC(CO)C(c1ccc2c(c1)CCO2)N(C)C
InChIInChI=1S/C15H23NO2/c1-4-11(10-17)15(16(2)3)13-5-6-14-12(9-13)7-8-18-14/h5-6,9,11,15,17H,4,7-8,10H2,1-3H3
InChIKeyIHROJNMRQSMHDX-UHFFFAOYSA-N
XLogP2.24
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)-3-(dimethylamino)-2-methylpropanoic acid
CID 116908097
1-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N,N-dimethylmethanamine
CID 116914533
5-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89176252
1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol
CID 103454434
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 66513598
1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-N-propylbutan-1-amine
CID 43495473
1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
CID 61100081
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-methylbutan-1-amine
CID 43198449
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine
CID 43756597
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 104542703
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpentan-3-amine
CID 54954752

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1-benzofuran-5-yl(dimethylamino)methyl]butan-1-ol?
The IUPAC name of 2-[2,3-dihydro-1-benzofuran-5-yl(dimethylamino)methyl]butan-1-ol (CID 116913268) is 2-[2,3-dihydro-1-benzofuran-5-yl(dimethylamino)methyl]butan-1-ol.
What is the SMILES notation for 2-[2,3-dihydro-1-benzofuran-5-yl(dimethylamino)methyl]butan-1-ol?
The canonical SMILES for 2-[2,3-dihydro-1-benzofuran-5-yl(dimethylamino)methyl]butan-1-ol is CCC(CO)C(c1ccc2c(c1)CCO2)N(C)C.
What is the InChIKey of 2-[2,3-dihydro-1-benzofuran-5-yl(dimethylamino)methyl]butan-1-ol?
The InChIKey is IHROJNMRQSMHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-11(10-17)15(16(2)3)13-5-6-14-12(9-13)7-8-18-14/h5-6,9,11,15,17H,4,7-8,10H2,1-3H3.
What are the key properties of 2-[2,3-dihydro-1-benzofuran-5-yl(dimethylamino)methyl]butan-1-ol?
2-[2,3-dihydro-1-benzofuran-5-yl(dimethylamino)methyl]butan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1-benzofuran-5-yl(dimethylamino)methyl]butan-1-ol is sourced from PubChem (CID 116913268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).