1-(4-chloro-6-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine

C11H12ClNO2 — CID 84790513

IUPAC1-(4-chloro-6-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine
SMILESCc1cc2c(c(Cl)c1C1(N)CC1)OCO2
InChIInChI=1S/C11H12ClNO2/c1-6-4-7-10(15-5-14-7)9(12)8(6)11(13)2-3-11/h4H,2-3,5,13H2,1H3
InChIKeyJRALZENPKSKABG-UHFFFAOYSA-N
MW225.67 g/mol
LogP2.32
Rot. Bonds1

About 1-(4-chloro-6-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine

1-(4-chloro-6-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine (PubChem CID 84790513) has the molecular formula C11H12ClNO2 and a molecular weight of 225.67 g/mol. Its IUPAC name is 1-(4-chloro-6-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-6-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine
PubChem CID84790513
Molecular FormulaC11H12ClNO2
Molecular Weight225.67 g/mol
Exact Mass225.06
IUPAC Name1-(4-chloro-6-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine
SMILESCc1cc2c(c(Cl)c1C1(N)CC1)OCO2
InChIInChI=1S/C11H12ClNO2/c1-6-4-7-10(15-5-14-7)9(12)8(6)11(13)2-3-11/h4H,2-3,5,13H2,1H3
InChIKeyJRALZENPKSKABG-UHFFFAOYSA-N
XLogP2.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.67
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclopropan-1-amine
CID 117293470
1-(4-chloro-6-methyl-1,3-benzodioxol-5-yl)cyclopentane-1-carboxylic acid
CID 117454294
2-(4-chloro-6-methyl-1,3-benzodioxol-5-yl)ethanamine
CID 84679932
1-(6-chloro-5-fluoro-1,3-benzodioxol-4-yl)cyclopentan-1-amine
CID 117397549
1-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-amine
CID 84789967
1-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine
CID 84808815
1-(5-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)cyclopropan-1-amine
CID 84799992
2-(1-aminocyclopropyl)-6-chloro-3,5-dimethylphenol
CID 84782027
[1-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)cyclobutyl]methanamine
CID 117387232
1-[(4-bromo-6-methyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine
CID 117456902
5-chloro-6-(1-isocyanatocyclopropyl)-7-methyl-2,3-dihydro-1,4-benzodioxine
CID 117418350
[1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclobutyl]methanamine
CID 117338504

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine?
The IUPAC name of 1-(4-chloro-6-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine (CID 84790513) is 1-(4-chloro-6-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(4-chloro-6-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(4-chloro-6-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine is Cc1cc2c(c(Cl)c1C1(N)CC1)OCO2.
What is the InChIKey of 1-(4-chloro-6-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine?
The InChIKey is JRALZENPKSKABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-6-4-7-10(15-5-14-7)9(12)8(6)11(13)2-3-11/h4H,2-3,5,13H2,1H3.
What are the key properties of 1-(4-chloro-6-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine?
1-(4-chloro-6-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine has a molecular weight of 225.67 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine is sourced from PubChem (CID 84790513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).