2-(1,3-benzodioxol-5-yloxy)cyclopentan-1-amine

C12H15NO3 — CID 43211648

IUPAC2-(1,3-benzodioxol-5-yloxy)cyclopentan-1-amine
SMILESNC1CCCC1Oc1ccc2c(c1)OCO2
InChIInChI=1S/C12H15NO3/c13-9-2-1-3-10(9)16-8-4-5-11-12(6-8)15-7-14-11/h4-6,9-10H,1-3,7,13H2
InChIKeyGUQNMNBZNPKTIQ-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.67
Rot. Bonds2

About 2-(1,3-benzodioxol-5-yloxy)cyclopentan-1-amine

2-(1,3-benzodioxol-5-yloxy)cyclopentan-1-amine (PubChem CID 43211648) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)cyclopentan-1-amine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)cyclopentan-1-amine
PubChem CID43211648
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-(1,3-benzodioxol-5-yloxy)cyclopentan-1-amine
SMILESNC1CCCC1Oc1ccc2c(c1)OCO2
InChIInChI=1S/C12H15NO3/c13-9-2-1-3-10(9)16-8-4-5-11-12(6-8)15-7-14-11/h4-6,9-10H,1-3,7,13H2
InChIKeyGUQNMNBZNPKTIQ-UHFFFAOYSA-N
XLogP1.67
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1,3-benzodioxol-5-yloxy)cyclohexyl]methanamine
CID 43294080
cis-(1S,2R)-2-(4-bromophenoxy)cyclopentan-1-amine
CID 67193636
5-[[(3R,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yloxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-1,3-benzodioxole
CID 162998944
4-(1,3-benzodioxol-5-yloxy)-1-ethylpiperidine
CID 142009570
2-(4-benzylphenoxy)cyclopentan-1-amine
CID 62274386
cis-(1R,2S)-2-(1,3-benzodioxol-5-ylmethyl)cyclohexan-1-amine
CID 10633393
2-(1,3-benzodioxol-5-yloxy)-1-cyclopentylethanamine
CID 104748816
2-(4-phenylphenoxy)cycloheptan-1-amine
CID 43591607
2-amino-1-[3-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]ethanone
CID 84755733
2-[4-(2-methylbutan-2-yl)phenoxy]cyclopentan-1-amine
CID 43100661
2-(3,5-dimethoxyphenoxy)cycloheptan-1-amine
CID 43589856
1,3-benzodioxol-5-yl-(4-cyclopropyloxyphenyl)methanol
CID 114518527

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)cyclopentan-1-amine?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)cyclopentan-1-amine (CID 43211648) is 2-(1,3-benzodioxol-5-yloxy)cyclopentan-1-amine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)cyclopentan-1-amine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)cyclopentan-1-amine is NC1CCCC1Oc1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)cyclopentan-1-amine?
The InChIKey is GUQNMNBZNPKTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c13-9-2-1-3-10(9)16-8-4-5-11-12(6-8)15-7-14-11/h4-6,9-10H,1-3,7,13H2.
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)cyclopentan-1-amine?
2-(1,3-benzodioxol-5-yloxy)cyclopentan-1-amine has a molecular weight of 221.26 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)cyclopentan-1-amine is sourced from PubChem (CID 43211648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).