1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-amine

C12H15NO2 — CID 117293465

IUPAC1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-amine
SMILESCc1ccc2c(c1C1(N)CC1)OCCO2
InChIInChI=1S/C12H15NO2/c1-8-2-3-9-11(15-7-6-14-9)10(8)12(13)4-5-12/h2-3H,4-7,13H2,1H3
InChIKeyBNMKKUURJIKSPF-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.71
Rot. Bonds1

About 1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-amine

1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-amine (PubChem CID 117293465) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-amine
PubChem CID117293465
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-amine
SMILESCc1ccc2c(c1C1(N)CC1)OCCO2
InChIInChI=1S/C12H15NO2/c1-8-2-3-9-11(15-7-6-14-9)10(8)12(13)4-5-12/h2-3H,4-7,13H2,1H3
InChIKeyBNMKKUURJIKSPF-UHFFFAOYSA-N
XLogP1.71
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol
CID 117294683
1-(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropan-1-amine
CID 117324379
1-(5-propan-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropan-1-amine
CID 84796229
6-(1-aminocyclopentyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117376057
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719
5-(1-aminocyclopropyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
CID 84813480
1-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-amine
CID 117392155
1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropan-1-amine
CID 84773304
1-(7-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropan-1-amine
CID 84815902
1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclopropan-1-amine
CID 117293470
1-[1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]ethanamine
CID 117346753
[5-[6-bis(2,6-dimethylphenyl)phosphanyl-2,3-dihydro-1,4-benzodioxin-5-yl]-2,3-dihydro-1,4-benzodioxin-6-yl]-bis(2,6-dimethylphenyl)phosphane;6-methyl-5-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1,4-benzodioxine
CID 91144659

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-amine?
The IUPAC name of 1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-amine (CID 117293465) is 1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-amine is Cc1ccc2c(c1C1(N)CC1)OCCO2.
What is the InChIKey of 1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-amine?
The InChIKey is BNMKKUURJIKSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-2-3-9-11(15-7-6-14-9)10(8)12(13)4-5-12/h2-3H,4-7,13H2,1H3.
What are the key properties of 1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-amine?
1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-amine has a molecular weight of 205.26 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-amine is sourced from PubChem (CID 117293465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).