[1-(5-methoxy-1,3-benzodioxol-4-yl)cyclopentyl]methanamine

C14H19NO3 — CID 117376470

IUPAC[1-(5-methoxy-1,3-benzodioxol-4-yl)cyclopentyl]methanamine
SMILESCOc1ccc2c(c1C1(CN)CCCC1)OCO2
InChIInChI=1S/C14H19NO3/c1-16-10-4-5-11-13(18-9-17-11)12(10)14(8-15)6-2-3-7-14/h4-5H,2-3,6-9,15H2,1H3
InChIKeyIQMNTMZKDACTKS-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.19
Rot. Bonds3

About [1-(5-methoxy-1,3-benzodioxol-4-yl)cyclopentyl]methanamine

[1-(5-methoxy-1,3-benzodioxol-4-yl)cyclopentyl]methanamine (PubChem CID 117376470) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is [1-(5-methoxy-1,3-benzodioxol-4-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(5-methoxy-1,3-benzodioxol-4-yl)cyclopentyl]methanamine
PubChem CID117376470
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name[1-(5-methoxy-1,3-benzodioxol-4-yl)cyclopentyl]methanamine
SMILESCOc1ccc2c(c1C1(CN)CCCC1)OCO2
InChIInChI=1S/C14H19NO3/c1-16-10-4-5-11-13(18-9-17-11)12(10)14(8-15)6-2-3-7-14/h4-5H,2-3,6-9,15H2,1H3
InChIKeyIQMNTMZKDACTKS-UHFFFAOYSA-N
XLogP2.19
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-chloro-1,3-benzodioxol-4-yl)cyclopentyl]methanamine
CID 117387219
4-[1-(aminomethyl)cyclopentyl]-1,3-benzodioxol-5-ol
CID 117342196
[1-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]cyclobutyl]methanamine
CID 117412716
[1-(6-bromo-5-methoxy-1,3-benzodioxol-4-yl)cyclobutyl]methanamine
CID 117499180
[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine
CID 117417809
[1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]cyclobutyl]methanamine
CID 117435342
[1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117386175
[1-(4-fluoro-1,3-benzodioxol-5-yl)cyclopentyl]methanamine
CID 117346782
[1-(4-bromo-1,3-benzodioxol-5-yl)cyclohexyl]methanamine
CID 117497241
[1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclobutyl]methanamine
CID 117338504
[1-(4-methylsulfanyl-1,3-benzodioxol-5-yl)cyclohexyl]methanamine
CID 117448417
[1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117427815

Frequently Asked Questions

What is the IUPAC name of [1-(5-methoxy-1,3-benzodioxol-4-yl)cyclopentyl]methanamine?
The IUPAC name of [1-(5-methoxy-1,3-benzodioxol-4-yl)cyclopentyl]methanamine (CID 117376470) is [1-(5-methoxy-1,3-benzodioxol-4-yl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(5-methoxy-1,3-benzodioxol-4-yl)cyclopentyl]methanamine?
The canonical SMILES for [1-(5-methoxy-1,3-benzodioxol-4-yl)cyclopentyl]methanamine is COc1ccc2c(c1C1(CN)CCCC1)OCO2.
What is the InChIKey of [1-(5-methoxy-1,3-benzodioxol-4-yl)cyclopentyl]methanamine?
The InChIKey is IQMNTMZKDACTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-16-10-4-5-11-13(18-9-17-11)12(10)14(8-15)6-2-3-7-14/h4-5H,2-3,6-9,15H2,1H3.
What are the key properties of [1-(5-methoxy-1,3-benzodioxol-4-yl)cyclopentyl]methanamine?
[1-(5-methoxy-1,3-benzodioxol-4-yl)cyclopentyl]methanamine has a molecular weight of 249.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methoxy-1,3-benzodioxol-4-yl)cyclopentyl]methanamine is sourced from PubChem (CID 117376470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).