1-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]cyclopentan-1-amine

C14H19NO3 — CID 117376205

IUPAC1-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]cyclopentan-1-amine
SMILESCOCc1ccc(C2(N)CCCC2)c2c1OCO2
InChIInChI=1S/C14H19NO3/c1-16-8-10-4-5-11(13-12(10)17-9-18-13)14(15)6-2-3-7-14/h4-5H,2-3,6-9,15H2,1H3
InChIKeyKJRNXOSKXFVMIW-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.29
Rot. Bonds3

About 1-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]cyclopentan-1-amine

1-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]cyclopentan-1-amine (PubChem CID 117376205) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]cyclopentan-1-amine
PubChem CID117376205
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]cyclopentan-1-amine
SMILESCOCc1ccc(C2(N)CCCC2)c2c1OCO2
InChIInChI=1S/C14H19NO3/c1-16-8-10-4-5-11(13-12(10)17-9-18-13)14(15)6-2-3-7-14/h4-5H,2-3,6-9,15H2,1H3
InChIKeyKJRNXOSKXFVMIW-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-fluoro-1,3-benzodioxol-4-yl)cyclopentan-1-amine
CID 117319463
1-[2,3-dimethoxy-4-(methoxymethyl)phenyl]cyclobutan-1-amine
CID 117381454
1-[4-fluoro-2-(methoxymethyl)phenyl]cyclopentan-1-amine
CID 117320330
1-[4-bromo-2-(methoxymethyl)phenyl]cyclopentan-1-amine
CID 117457054
1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclohexan-1-amine
CID 117444632
1-(7-bromo-1,3-benzodioxol-4-yl)cyclopropan-1-amine
CID 117393166
2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethanol
CID 117300085
1-(4-methoxy-1,3-benzodioxol-5-yl)cyclobutan-1-amine
CID 117315660
1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine
CID 117448254
1-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine
CID 117421967
1-[2-bromo-6-(methoxymethyl)phenyl]cyclopentan-1-amine
CID 117457434
1-(4-chloro-1,3-benzodioxol-5-yl)cyclohexan-1-amine
CID 117387400

Frequently Asked Questions

What is the IUPAC name of 1-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]cyclopentan-1-amine?
The IUPAC name of 1-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]cyclopentan-1-amine (CID 117376205) is 1-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]cyclopentan-1-amine is COCc1ccc(C2(N)CCCC2)c2c1OCO2.
What is the InChIKey of 1-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]cyclopentan-1-amine?
The InChIKey is KJRNXOSKXFVMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-16-8-10-4-5-11(13-12(10)17-9-18-13)14(15)6-2-3-7-14/h4-5H,2-3,6-9,15H2,1H3.
What are the key properties of 1-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]cyclopentan-1-amine?
1-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]cyclopentan-1-amine has a molecular weight of 249.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]cyclopentan-1-amine is sourced from PubChem (CID 117376205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).