3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclobutan-1-ol

C14H19NO3 — CID 66006062

IUPAC3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclobutan-1-ol
SMILESCC(NCC1CC(O)C1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H19NO3/c1-9(15-7-10-4-12(16)5-10)11-2-3-13-14(6-11)18-8-17-13/h2-3,6,9-10,12,15-16H,4-5,7-8H2,1H3
InChIKeyBUTNYXQXJSYNMB-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.84
Rot. Bonds4

About 3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclobutan-1-ol

3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclobutan-1-ol (PubChem CID 66006062) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclobutan-1-ol
PubChem CID66006062
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclobutan-1-ol
SMILESCC(NCC1CC(O)C1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H19NO3/c1-9(15-7-10-4-12(16)5-10)11-2-3-13-14(6-11)18-8-17-13/h2-3,6,9-10,12,15-16H,4-5,7-8H2,1H3
InChIKeyBUTNYXQXJSYNMB-UHFFFAOYSA-N
XLogP1.84
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclopentan-1-ol
CID 103271544
1-(1,3-benzodioxol-5-yl)-N-(cyclobutylmethyl)ethanamine
CID 43298420
1-[1-(1,3-benzodioxol-5-yl)ethylamino]propan-2-ol
CID 43499381
2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]ethanol
CID 29083160
1-(1,3-benzodioxol-5-yl)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine
CID 43782351
1-(1,3-benzodioxol-5-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82833988
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclopropylpropan-1-amine
CID 113348615
2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-propan-2-ylacetamide
CID 43567784
2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N,N-dimethylacetamide
CID 43310888
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107412072
1-(1,3-benzodioxol-5-yl)-N-methylethanamine
CID 6424509
(1S)-1-(1,3-benzodioxol-5-yl)-N-chloroethanamine
CID 118697739

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclobutan-1-ol (CID 66006062) is 3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclobutan-1-ol is CC(NCC1CC(O)C1)c1ccc2c(c1)OCO2.
What is the InChIKey of 3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclobutan-1-ol?
The InChIKey is BUTNYXQXJSYNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9(15-7-10-4-12(16)5-10)11-2-3-13-14(6-11)18-8-17-13/h2-3,6,9-10,12,15-16H,4-5,7-8H2,1H3.
What are the key properties of 3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclobutan-1-ol?
3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclobutan-1-ol has a molecular weight of 249.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 66006062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).