[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]methanol

C13H19NO3 — CID 115229600

IUPAC[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]methanol
SMILESCC(C)(CNCO)c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H19NO3/c1-13(2,8-14-9-15)10-3-4-11-12(7-10)17-6-5-16-11/h3-4,7,14-15H,5-6,8-9H2,1-2H3
InChIKeySTORVQMWCRDHRE-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.27
Rot. Bonds4

About [[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]methanol

[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]methanol (PubChem CID 115229600) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is [[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]methanol.

Molecular Properties

Compound Name[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]methanol
PubChem CID115229600
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]methanol
SMILESCC(C)(CNCO)c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H19NO3/c1-13(2,8-14-9-15)10-3-4-11-12(7-10)17-6-5-16-11/h3-4,7,14-15H,5-6,8-9H2,1-2H3
InChIKeySTORVQMWCRDHRE-UHFFFAOYSA-N
XLogP1.27
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]acetic acid
CID 115218133
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(hydrazinylmethyl)-2-methylpropan-1-amine
CID 115261402
[[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]amino]methanol
CID 115229672
4-tert-butyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide
CID 113090593
2-(1,3-benzodioxol-5-yl)-N-(hydrazinylmethyl)-2-methylpropan-1-amine
CID 115261413
8,19,28,39-tetratert-butyl-2,5,12,15,22,25,32,35-octaoxapentacyclo[34.4.0.06,11.016,21.026,31]tetraconta-1(36),6(11),7,9,16(21),17,19,26(31),27,29,37,39-dodecaene
CID 10557117
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]morpholine-4-carboxamide
CID 60603703
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-phenylacetamide
CID 113090597
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydrazinylpropan-2-ol
CID 82080622
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]oxane-4-carboxamide
CID 113090626
4-(aminomethyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide
CID 119309920
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methylbenzamide
CID 113090578

Frequently Asked Questions

What is the IUPAC name of [[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]methanol?
The IUPAC name of [[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]methanol (CID 115229600) is [[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]methanol.
What is the SMILES notation for [[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]methanol?
The canonical SMILES for [[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]methanol is CC(C)(CNCO)c1ccc2c(c1)OCCO2.
What is the InChIKey of [[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]methanol?
The InChIKey is STORVQMWCRDHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2,8-14-9-15)10-3-4-11-12(7-10)17-6-5-16-11/h3-4,7,14-15H,5-6,8-9H2,1-2H3.
What are the key properties of [[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]methanol?
[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]methanol has a molecular weight of 237.30 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]methanol is sourced from PubChem (CID 115229600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).