2-(2,3-dihydro-1-benzofuran-5-yl)-4-(2-methylpropylamino)butan-2-ol

C16H25NO2 — CID 104545017

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-4-(2-methylpropylamino)butan-2-ol
SMILESCC(C)CNCCC(C)(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H25NO2/c1-12(2)11-17-8-7-16(3,18)14-4-5-15-13(10-14)6-9-19-15/h4-5,10,12,17-18H,6-9,11H2,1-3H3
InChIKeyUVKPARVGKHCIFF-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.46
Rot. Bonds6

About 2-(2,3-dihydro-1-benzofuran-5-yl)-4-(2-methylpropylamino)butan-2-ol

2-(2,3-dihydro-1-benzofuran-5-yl)-4-(2-methylpropylamino)butan-2-ol (PubChem CID 104545017) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-4-(2-methylpropylamino)butan-2-ol.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-4-(2-methylpropylamino)butan-2-ol
PubChem CID104545017
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-4-(2-methylpropylamino)butan-2-ol
SMILESCC(C)CNCCC(C)(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H25NO2/c1-12(2)11-17-8-7-16(3,18)14-4-5-15-13(10-14)6-9-19-15/h4-5,10,12,17-18H,6-9,11H2,1-3H3
InChIKeyUVKPARVGKHCIFF-UHFFFAOYSA-N
XLogP2.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79830322
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylbutan-1-amine
CID 79830115
3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-methylpropyl)butan-1-amine
CID 104545189
3-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine
CID 22592399
N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732657
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 65444678
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylbutan-2-amine
CID 170188643
4-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)butan-2-ol
CID 65446028
3-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 113425320
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 115136364
2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]amino]ethanethiol
CID 115224523
5-(4-chloro-2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran
CID 79837255

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-4-(2-methylpropylamino)butan-2-ol?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-4-(2-methylpropylamino)butan-2-ol (CID 104545017) is 2-(2,3-dihydro-1-benzofuran-5-yl)-4-(2-methylpropylamino)butan-2-ol.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-4-(2-methylpropylamino)butan-2-ol?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-4-(2-methylpropylamino)butan-2-ol is CC(C)CNCCC(C)(O)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-4-(2-methylpropylamino)butan-2-ol?
The InChIKey is UVKPARVGKHCIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)11-17-8-7-16(3,18)14-4-5-15-13(10-14)6-9-19-15/h4-5,10,12,17-18H,6-9,11H2,1-3H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-4-(2-methylpropylamino)butan-2-ol?
2-(2,3-dihydro-1-benzofuran-5-yl)-4-(2-methylpropylamino)butan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 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)-4-(2-methylpropylamino)butan-2-ol is sourced from PubChem (CID 104545017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).