2-(5-bromo-2-methyl-1H-indol-3-yl)propan-1-amine

C12H15BrN2 — CID 82501769

IUPAC2-(5-bromo-2-methyl-1H-indol-3-yl)propan-1-amine
SMILESCc1[nH]c2ccc(Br)cc2c1C(C)CN
InChIInChI=1S/C12H15BrN2/c1-7(6-14)12-8(2)15-11-4-3-9(13)5-10(11)12/h3-5,7,15H,6,14H2,1-2H3
InChIKeyASICNNRJRIHMNS-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.30
Rot. Bonds2

About 2-(5-bromo-2-methyl-1H-indol-3-yl)propan-1-amine

2-(5-bromo-2-methyl-1H-indol-3-yl)propan-1-amine (PubChem CID 82501769) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 2-(5-bromo-2-methyl-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(5-bromo-2-methyl-1H-indol-3-yl)propan-1-amine
PubChem CID82501769
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name2-(5-bromo-2-methyl-1H-indol-3-yl)propan-1-amine
SMILESCc1[nH]c2ccc(Br)cc2c1C(C)CN
InChIInChI=1S/C12H15BrN2/c1-7(6-14)12-8(2)15-11-4-3-9(13)5-10(11)12/h3-5,7,15H,6,14H2,1-2H3
InChIKeyASICNNRJRIHMNS-UHFFFAOYSA-N
XLogP3.30
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methyl-1H-indol-3-yl)propan-1-amine?
The IUPAC name of 2-(5-bromo-2-methyl-1H-indol-3-yl)propan-1-amine (CID 82501769) is 2-(5-bromo-2-methyl-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for 2-(5-bromo-2-methyl-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for 2-(5-bromo-2-methyl-1H-indol-3-yl)propan-1-amine is Cc1[nH]c2ccc(Br)cc2c1C(C)CN.
What is the InChIKey of 2-(5-bromo-2-methyl-1H-indol-3-yl)propan-1-amine?
The InChIKey is ASICNNRJRIHMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-7(6-14)12-8(2)15-11-4-3-9(13)5-10(11)12/h3-5,7,15H,6,14H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methyl-1H-indol-3-yl)propan-1-amine?
2-(5-bromo-2-methyl-1H-indol-3-yl)propan-1-amine has a molecular weight of 267.17 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methyl-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 82501769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).