1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-amine

C13H17NO2 — CID 117312717

IUPAC1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-amine
SMILESCc1cc(CC2(N)CC2)c2c(c1)OCCO2
InChIInChI=1S/C13H17NO2/c1-9-6-10(8-13(14)2-3-13)12-11(7-9)15-4-5-16-12/h6-7H,2-5,8,14H2,1H3
InChIKeyAGDQIJSHTYHHCL-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.80
Rot. Bonds2

About 1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-amine

1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-amine (PubChem CID 117312717) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-amine
PubChem CID117312717
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-amine
SMILESCc1cc(CC2(N)CC2)c2c(c1)OCCO2
InChIInChI=1S/C13H17NO2/c1-9-6-10(8-13(14)2-3-13)12-11(7-9)15-4-5-16-12/h6-7H,2-5,8,14H2,1H3
InChIKeyAGDQIJSHTYHHCL-UHFFFAOYSA-N
XLogP1.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[7-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]methyl]cyclopropan-1-amine
CID 117417390
2-methyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-2-amine
CID 117316768
1-[(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropan-1-amine
CID 117338688
1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropan-1-amine
CID 117342410
[1-(7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopentyl]methanamine
CID 117371080
1-[(7-chloro-5-propan-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropan-1-amine
CID 117452712
5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxine
CID 20765776
1-[(7-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-amine
CID 117499282
1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine
CID 117293533
5-[(1-aminocyclopropyl)methyl]-6-chloro-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117392338
1-[(8-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]cyclopropan-1-amine
CID 117371333
3-(6-methyl-1,3-benzodioxol-4-yl)propan-1-amine
CID 117283708

Frequently Asked Questions

What is the IUPAC name of 1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-amine (CID 117312717) is 1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-amine is Cc1cc(CC2(N)CC2)c2c(c1)OCCO2.
What is the InChIKey of 1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-amine?
The InChIKey is AGDQIJSHTYHHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-6-10(8-13(14)2-3-13)12-11(7-9)15-4-5-16-12/h6-7H,2-5,8,14H2,1H3.
What are the key properties of 1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-amine?
1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-amine has a molecular weight of 219.28 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117312717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).