1-(7-bromo-1,3-benzodioxol-4-yl)cyclopropan-1-amine

C10H10BrNO2 — CID 117393166

IUPAC1-(7-bromo-1,3-benzodioxol-4-yl)cyclopropan-1-amine
SMILESNC1(c2ccc(Br)c3c2OCO3)CC1
InChIInChI=1S/C10H10BrNO2/c11-7-2-1-6(10(12)3-4-10)8-9(7)14-5-13-8/h1-2H,3-5,12H2
InChIKeySQPIAXHIFQALEU-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.13
Rot. Bonds1

About 1-(7-bromo-1,3-benzodioxol-4-yl)cyclopropan-1-amine

1-(7-bromo-1,3-benzodioxol-4-yl)cyclopropan-1-amine (PubChem CID 117393166) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is 1-(7-bromo-1,3-benzodioxol-4-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(7-bromo-1,3-benzodioxol-4-yl)cyclopropan-1-amine
PubChem CID117393166
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name1-(7-bromo-1,3-benzodioxol-4-yl)cyclopropan-1-amine
SMILESNC1(c2ccc(Br)c3c2OCO3)CC1
InChIInChI=1S/C10H10BrNO2/c11-7-2-1-6(10(12)3-4-10)8-9(7)14-5-13-8/h1-2H,3-5,12H2
InChIKeySQPIAXHIFQALEU-UHFFFAOYSA-N
XLogP2.13
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-fluoro-1,3-benzodioxol-4-yl)cyclopentan-1-amine
CID 117319463
2-[1-(7-bromo-1,3-benzodioxol-4-yl)cyclopropyl]acetic acid
CID 117481526
1-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]cyclopentan-1-amine
CID 117376205
4-bromo-7-(1-isocyanatocyclopentyl)-1,3-benzodioxole
CID 117494692
3-(1-aminocyclopropyl)-4-bromoaniline
CID 84690977
1-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine
CID 84808815
1-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclopropan-1-ol
CID 117458870
1-(4-methoxy-1,3-benzodioxol-5-yl)cyclobutan-1-amine
CID 117315660
1-(4-chloro-1,3-benzodioxol-5-yl)cyclohexan-1-amine
CID 117387400
1-(7-bromo-1,3-benzodioxol-4-yl)-2-methylpropan-2-amine
CID 117432784
1-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclopentan-1-amine
CID 117381226
4-(1-aminocyclopropyl)-2-bromo-3-methylphenol
CID 84801509

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1,3-benzodioxol-4-yl)cyclopropan-1-amine?
The IUPAC name of 1-(7-bromo-1,3-benzodioxol-4-yl)cyclopropan-1-amine (CID 117393166) is 1-(7-bromo-1,3-benzodioxol-4-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(7-bromo-1,3-benzodioxol-4-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(7-bromo-1,3-benzodioxol-4-yl)cyclopropan-1-amine is NC1(c2ccc(Br)c3c2OCO3)CC1.
What is the InChIKey of 1-(7-bromo-1,3-benzodioxol-4-yl)cyclopropan-1-amine?
The InChIKey is SQPIAXHIFQALEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c11-7-2-1-6(10(12)3-4-10)8-9(7)14-5-13-8/h1-2H,3-5,12H2.
What are the key properties of 1-(7-bromo-1,3-benzodioxol-4-yl)cyclopropan-1-amine?
1-(7-bromo-1,3-benzodioxol-4-yl)cyclopropan-1-amine has a molecular weight of 256.10 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1,3-benzodioxol-4-yl)cyclopropan-1-amine is sourced from PubChem (CID 117393166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).