1-(5-bromo-1-methylindol-3-yl)cyclopropan-1-amine

C12H13BrN2 — CID 82667140

IUPAC1-(5-bromo-1-methylindol-3-yl)cyclopropan-1-amine
SMILESCn1cc(C2(N)CC2)c2cc(Br)ccc21
InChIInChI=1S/C12H13BrN2/c1-15-7-10(12(14)4-5-12)9-6-8(13)2-3-11(9)15/h2-3,6-7H,4-5,14H2,1H3
InChIKeyIZDSCDOUVRGCDJ-UHFFFAOYSA-N
MW265.15 g/mol
LogP2.89
Rot. Bonds1

About 1-(5-bromo-1-methylindol-3-yl)cyclopropan-1-amine

1-(5-bromo-1-methylindol-3-yl)cyclopropan-1-amine (PubChem CID 82667140) has the molecular formula C12H13BrN2 and a molecular weight of 265.15 g/mol. Its IUPAC name is 1-(5-bromo-1-methylindol-3-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-1-methylindol-3-yl)cyclopropan-1-amine
PubChem CID82667140
Molecular FormulaC12H13BrN2
Molecular Weight265.15 g/mol
Exact Mass264.03
IUPAC Name1-(5-bromo-1-methylindol-3-yl)cyclopropan-1-amine
SMILESCn1cc(C2(N)CC2)c2cc(Br)ccc21
InChIInChI=1S/C12H13BrN2/c1-15-7-10(12(14)4-5-12)9-6-8(13)2-3-11(9)15/h2-3,6-7H,4-5,14H2,1H3
InChIKeyIZDSCDOUVRGCDJ-UHFFFAOYSA-N
XLogP2.89
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-methylindol-3-yl)cyclopropan-1-amine?
The IUPAC name of 1-(5-bromo-1-methylindol-3-yl)cyclopropan-1-amine (CID 82667140) is 1-(5-bromo-1-methylindol-3-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(5-bromo-1-methylindol-3-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(5-bromo-1-methylindol-3-yl)cyclopropan-1-amine is Cn1cc(C2(N)CC2)c2cc(Br)ccc21.
What is the InChIKey of 1-(5-bromo-1-methylindol-3-yl)cyclopropan-1-amine?
The InChIKey is IZDSCDOUVRGCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2/c1-15-7-10(12(14)4-5-12)9-6-8(13)2-3-11(9)15/h2-3,6-7H,4-5,14H2,1H3.
What are the key properties of 1-(5-bromo-1-methylindol-3-yl)cyclopropan-1-amine?
1-(5-bromo-1-methylindol-3-yl)cyclopropan-1-amine has a molecular weight of 265.15 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-methylindol-3-yl)cyclopropan-1-amine is sourced from PubChem (CID 82667140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).