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

C13H19NO3 — CID 117347172

IUPAC2-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propan-2-amine
SMILESCOCc1cc2c(cc1C(C)(C)N)OCCO2
InChIInChI=1S/C13H19NO3/c1-13(2,14)10-7-12-11(16-4-5-17-12)6-9(10)8-15-3/h6-7H,4-5,8,14H2,1-3H3
InChIKeyYWZXSXWDUKSXPD-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.80
Rot. Bonds3

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

2-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propan-2-amine (PubChem CID 117347172) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propan-2-amine.

Molecular Properties

Compound Name2-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propan-2-amine
PubChem CID117347172
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propan-2-amine
SMILESCOCc1cc2c(cc1C(C)(C)N)OCCO2
InChIInChI=1S/C13H19NO3/c1-13(2,14)10-7-12-11(16-4-5-17-12)6-9(10)8-15-3/h6-7H,4-5,8,14H2,1-3H3
InChIKeyYWZXSXWDUKSXPD-UHFFFAOYSA-N
XLogP1.80
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propan-2-amine?
The IUPAC name of 2-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propan-2-amine (CID 117347172) is 2-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propan-2-amine.
What is the SMILES notation for 2-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propan-2-amine?
The canonical SMILES for 2-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propan-2-amine is COCc1cc2c(cc1C(C)(C)N)OCCO2.
What is the InChIKey of 2-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propan-2-amine?
The InChIKey is YWZXSXWDUKSXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2,14)10-7-12-11(16-4-5-17-12)6-9(10)8-15-3/h6-7H,4-5,8,14H2,1-3H3.
What are the key properties of 2-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propan-2-amine?
2-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propan-2-amine has a molecular weight of 237.30 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propan-2-amine is sourced from PubChem (CID 117347172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).