1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropan-1-amine

C13H17NO3 — CID 117342357

IUPAC1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropan-1-amine
SMILESCOCc1cc2c(cc1C1(N)CC1)OCCO2
InChIInChI=1S/C13H17NO3/c1-15-8-9-6-11-12(17-5-4-16-11)7-10(9)13(14)2-3-13/h6-7H,2-5,8,14H2,1H3
InChIKeyACDSTMJMZXKKPY-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.55
Rot. Bonds3

About 1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropan-1-amine

1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropan-1-amine (PubChem CID 117342357) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropan-1-amine
PubChem CID117342357
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropan-1-amine
SMILESCOCc1cc2c(cc1C1(N)CC1)OCCO2
InChIInChI=1S/C13H17NO3/c1-15-8-9-6-11-12(17-5-4-16-11)7-10(9)13(14)2-3-13/h6-7H,2-5,8,14H2,1H3
InChIKeyACDSTMJMZXKKPY-UHFFFAOYSA-N
XLogP1.55
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropan-1-amine?
The IUPAC name of 1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropan-1-amine (CID 117342357) is 1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropan-1-amine is COCc1cc2c(cc1C1(N)CC1)OCCO2.
What is the InChIKey of 1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropan-1-amine?
The InChIKey is ACDSTMJMZXKKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-15-8-9-6-11-12(17-5-4-16-11)7-10(9)13(14)2-3-13/h6-7H,2-5,8,14H2,1H3.
What are the key properties of 1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropan-1-amine?
1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropan-1-amine has a molecular weight of 235.28 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropan-1-amine is sourced from PubChem (CID 117342357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).