[1-(3-bromo-1H-indol-6-yl)cyclopropyl]methanamine

C12H13BrN2 — CID 117416499

IUPAC[1-(3-bromo-1H-indol-6-yl)cyclopropyl]methanamine
SMILESNCC1(c2ccc3c(Br)c[nH]c3c2)CC1
InChIInChI=1S/C12H13BrN2/c13-10-6-15-11-5-8(1-2-9(10)11)12(7-14)3-4-12/h1-2,5-6,15H,3-4,7,14H2
InChIKeyIYXBVXPAVCXKAN-UHFFFAOYSA-N
MW265.15 g/mol
LogP2.92
Rot. Bonds2

About [1-(3-bromo-1H-indol-6-yl)cyclopropyl]methanamine

[1-(3-bromo-1H-indol-6-yl)cyclopropyl]methanamine (PubChem CID 117416499) has the molecular formula C12H13BrN2 and a molecular weight of 265.15 g/mol. Its IUPAC name is [1-(3-bromo-1H-indol-6-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3-bromo-1H-indol-6-yl)cyclopropyl]methanamine
PubChem CID117416499
Molecular FormulaC12H13BrN2
Molecular Weight265.15 g/mol
Exact Mass264.03
IUPAC Name[1-(3-bromo-1H-indol-6-yl)cyclopropyl]methanamine
SMILESNCC1(c2ccc3c(Br)c[nH]c3c2)CC1
InChIInChI=1S/C12H13BrN2/c13-10-6-15-11-5-8(1-2-9(10)11)12(7-14)3-4-12/h1-2,5-6,15H,3-4,7,14H2
InChIKeyIYXBVXPAVCXKAN-UHFFFAOYSA-N
XLogP2.92
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-1H-indol-6-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(3-bromo-1H-indol-6-yl)cyclopropyl]methanamine (CID 117416499) is [1-(3-bromo-1H-indol-6-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(3-bromo-1H-indol-6-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(3-bromo-1H-indol-6-yl)cyclopropyl]methanamine is NCC1(c2ccc3c(Br)c[nH]c3c2)CC1.
What is the InChIKey of [1-(3-bromo-1H-indol-6-yl)cyclopropyl]methanamine?
The InChIKey is IYXBVXPAVCXKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2/c13-10-6-15-11-5-8(1-2-9(10)11)12(7-14)3-4-12/h1-2,5-6,15H,3-4,7,14H2.
What are the key properties of [1-(3-bromo-1H-indol-6-yl)cyclopropyl]methanamine?
[1-(3-bromo-1H-indol-6-yl)cyclopropyl]methanamine has a molecular weight of 265.15 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-1H-indol-6-yl)cyclopropyl]methanamine is sourced from PubChem (CID 117416499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).