1-(1,3-benzodioxol-5-yl)-2-cyclopentyloxyethanamine

C14H19NO3 — CID 16796104

IUPAC1-(1,3-benzodioxol-5-yl)-2-cyclopentyloxyethanamine
SMILESNC(COC1CCCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H19NO3/c15-12(8-16-11-3-1-2-4-11)10-5-6-13-14(7-10)18-9-17-13/h5-7,11-12H,1-4,8-9,15H2
InChIKeyZMDZTOQWEHVYMJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.37
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-2-cyclopentyloxyethanamine

1-(1,3-benzodioxol-5-yl)-2-cyclopentyloxyethanamine (PubChem CID 16796104) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-2-cyclopentyloxyethanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-2-cyclopentyloxyethanamine
PubChem CID16796104
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-(1,3-benzodioxol-5-yl)-2-cyclopentyloxyethanamine
SMILESNC(COC1CCCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H19NO3/c15-12(8-16-11-3-1-2-4-11)10-5-6-13-14(7-10)18-9-17-13/h5-7,11-12H,1-4,8-9,15H2
InChIKeyZMDZTOQWEHVYMJ-UHFFFAOYSA-N
XLogP2.37
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-5-yl)-2-(3-methylbutoxy)ethanamine
CID 43184014
1-(1,3-benzodioxol-5-yl)-2-(4-methylpentan-2-yloxy)ethanamine
CID 43184290
(1S)-1-(1,3-benzodioxol-5-yl)ethane-1,2-diamine
CID 55278725
(1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethanamine;hydrochloride
CID 171216786
2-cyclopentyloxy-1-(4-methylphenyl)ethanamine
CID 16787694
1-(1,3-benzodioxol-5-yl)-3-methylbutan-1-amine
CID 82048703
1,3-benzodioxol-5-yl(cycloheptyl)methanamine
CID 82931380
2-(cyclopropylmethoxy)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine
CID 43211712
1-(1,3-benzodioxol-5-yl)-2-(4,4-dimethylcyclohexyl)oxyethanol
CID 114341931
(S)-1,3-benzodioxol-5-yl(cyclohexyl)methanamine;hydrochloride
CID 171236430
1-(1,3-benzodioxol-5-ylamino)-3-cyclopentyloxypropan-2-ol
CID 60900166
2-(2-cyclopropylethoxy)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine
CID 106200571

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-cyclopentyloxyethanamine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-cyclopentyloxyethanamine (CID 16796104) is 1-(1,3-benzodioxol-5-yl)-2-cyclopentyloxyethanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-2-cyclopentyloxyethanamine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-2-cyclopentyloxyethanamine is NC(COC1CCCC1)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-2-cyclopentyloxyethanamine?
The InChIKey is ZMDZTOQWEHVYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c15-12(8-16-11-3-1-2-4-11)10-5-6-13-14(7-10)18-9-17-13/h5-7,11-12H,1-4,8-9,15H2.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-2-cyclopentyloxyethanamine?
1-(1,3-benzodioxol-5-yl)-2-cyclopentyloxyethanamine has a molecular weight of 249.31 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-2-cyclopentyloxyethanamine is sourced from PubChem (CID 16796104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).