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

C15H21NO3 — CID 103271544

IUPAC3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclopentan-1-ol
SMILESCC(NCC1CCC(O)C1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H21NO3/c1-10(16-8-11-2-4-13(17)6-11)12-3-5-14-15(7-12)19-9-18-14/h3,5,7,10-11,13,16-17H,2,4,6,8-9H2,1H3
InChIKeyVORYJBWNCJXQGL-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.23
Rot. Bonds4

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

3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclopentan-1-ol (PubChem CID 103271544) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclopentan-1-ol
PubChem CID103271544
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclopentan-1-ol
SMILESCC(NCC1CCC(O)C1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H21NO3/c1-10(16-8-11-2-4-13(17)6-11)12-3-5-14-15(7-12)19-9-18-14/h3,5,7,10-11,13,16-17H,2,4,6,8-9H2,1H3
InChIKeyVORYJBWNCJXQGL-UHFFFAOYSA-N
XLogP2.23
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclobutan-1-ol
CID 66006062
1-(1,3-benzodioxol-5-yl)-N-(cyclobutylmethyl)ethanamine
CID 43298420
3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]cyclopentan-1-ol
CID 103271482
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107412072
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclopropylpropan-1-amine
CID 113348615
3-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]cyclohexan-1-ol
CID 103785860
1-(1,3-benzodioxol-5-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82833988
2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]ethanol
CID 29083160
1-[1-(1,3-benzodioxol-5-yl)ethylamino]propan-2-ol
CID 43499381
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 63990132
1-(1,3-benzodioxol-5-yl)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine
CID 43782351
3-[[1-(3,4-dimethylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 103785848

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclopentan-1-ol (CID 103271544) is 3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclopentan-1-ol is CC(NCC1CCC(O)C1)c1ccc2c(c1)OCO2.
What is the InChIKey of 3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclopentan-1-ol?
The InChIKey is VORYJBWNCJXQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(16-8-11-2-4-13(17)6-11)12-3-5-14-15(7-12)19-9-18-14/h3,5,7,10-11,13,16-17H,2,4,6,8-9H2,1H3.
What are the key properties of 3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclopentan-1-ol?
3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclopentan-1-ol has a molecular weight of 263.34 g/mol, XLogP of 2.23, 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]cyclopentan-1-ol is sourced from PubChem (CID 103271544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).