[5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]furan-2-yl]methanol

C16H19NO4 — CID 64579003

IUPAC[5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]furan-2-yl]methanol
SMILESCC(NCc1ccc(CO)o1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H19NO4/c1-11(17-9-13-3-4-14(10-18)21-13)12-2-5-15-16(8-12)20-7-6-19-15/h2-5,8,11,17-18H,6-7,9-10H2,1H3
InChIKeyVXPCPZVCGAWFQU-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.39
Rot. Bonds5

About [5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]furan-2-yl]methanol

[5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]furan-2-yl]methanol (PubChem CID 64579003) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is [5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]furan-2-yl]methanol
PubChem CID64579003
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name[5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]furan-2-yl]methanol
SMILESCC(NCc1ccc(CO)o1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H19NO4/c1-11(17-9-13-3-4-14(10-18)21-13)12-2-5-15-16(8-12)20-7-6-19-15/h2-5,8,11,17-18H,6-7,9-10H2,1H3
InChIKeyVXPCPZVCGAWFQU-UHFFFAOYSA-N
XLogP2.39
TPSA63.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]furan-2-yl]methanol with MolForge

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpropan-1-amine
CID 43177362
4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]butan-1-ol
CID 106840592
4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-methylbutan-1-ol
CID 66089700
3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 81411928
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 55109906
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 134029101
[5-[[1-(furan-3-yl)ethylamino]methyl]furan-2-yl]methanol
CID 115711896
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-methylbutan-2-ol
CID 65108517
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,3-dimethylbutanamide
CID 47111685
3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]oxolan-3-ol
CID 103904838
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78824798
2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]ethanol
CID 29083160

Frequently Asked Questions

What is the IUPAC name of [5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]furan-2-yl]methanol (CID 64579003) is [5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]furan-2-yl]methanol is CC(NCc1ccc(CO)o1)c1ccc2c(c1)OCCO2.
What is the InChIKey of [5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]furan-2-yl]methanol?
The InChIKey is VXPCPZVCGAWFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-11(17-9-13-3-4-14(10-18)21-13)12-2-5-15-16(8-12)20-7-6-19-15/h2-5,8,11,17-18H,6-7,9-10H2,1H3.
What are the key properties of [5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]furan-2-yl]methanol?
[5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]furan-2-yl]methanol has a molecular weight of 289.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 64579003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).