1-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine

C11H12BrNO2 — CID 84808815

IUPAC1-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine
SMILESCc1c(Br)c(C2(N)CC2)cc2c1OCO2
InChIInChI=1S/C11H12BrNO2/c1-6-9(12)7(11(13)2-3-11)4-8-10(6)15-5-14-8/h4H,2-3,5,13H2,1H3
InChIKeyPSNXWSFKPZQRAX-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.43
Rot. Bonds1

About 1-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine

1-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine (PubChem CID 84808815) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 1-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine
PubChem CID84808815
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name1-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine
SMILESCc1c(Br)c(C2(N)CC2)cc2c1OCO2
InChIInChI=1S/C11H12BrNO2/c1-6-9(12)7(11(13)2-3-11)4-8-10(6)15-5-14-8/h4H,2-3,5,13H2,1H3
InChIKeyPSNXWSFKPZQRAX-UHFFFAOYSA-N
XLogP2.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine
CID 117496963
1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclopropan-1-amine
CID 117293470
[1-(7-bromo-6-methyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine
CID 117496965
O-[2-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine
CID 117437374
1-[(4-bromo-6-methyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine
CID 117456902
1-(4-chloro-6-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine
CID 84790513
1-(5-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)cyclopropan-1-amine
CID 84799992
1-(7-bromo-1,3-benzodioxol-4-yl)cyclopropan-1-amine
CID 117393166
3-amino-3-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)propanoic acid
CID 117486124
methyl 2-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)-2-hydroxyacetate
CID 117487765
(E)-3-(7-bromo-6-methyl-1,3-benzodioxol-5-yl)prop-2-en-1-amine
CID 117428270
6-(1-isocyanatocyclopropyl)-4,5-dimethyl-1,3-benzodioxole
CID 117333978

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine?
The IUPAC name of 1-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine (CID 84808815) is 1-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine is Cc1c(Br)c(C2(N)CC2)cc2c1OCO2.
What is the InChIKey of 1-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine?
The InChIKey is PSNXWSFKPZQRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-6-9(12)7(11(13)2-3-11)4-8-10(6)15-5-14-8/h4H,2-3,5,13H2,1H3.
What are the key properties of 1-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine?
1-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine has a molecular weight of 270.13 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine is sourced from PubChem (CID 84808815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).