2-(6-bromo-1H-indol-3-yl)-N,2-dimethylpropan-1-amine

C13H17BrN2 — CID 84642871

IUPAC2-(6-bromo-1H-indol-3-yl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C13H17BrN2/c1-13(2,8-15-3)11-7-16-12-6-9(14)4-5-10(11)12/h4-7,15-16H,8H2,1-3H3
InChIKeyAPJRORDLWQXPOW-UHFFFAOYSA-N
MW281.20 g/mol
LogP3.43
Rot. Bonds3

About 2-(6-bromo-1H-indol-3-yl)-N,2-dimethylpropan-1-amine

2-(6-bromo-1H-indol-3-yl)-N,2-dimethylpropan-1-amine (PubChem CID 84642871) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 2-(6-bromo-1H-indol-3-yl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-(6-bromo-1H-indol-3-yl)-N,2-dimethylpropan-1-amine
PubChem CID84642871
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC Name2-(6-bromo-1H-indol-3-yl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C13H17BrN2/c1-13(2,8-15-3)11-7-16-12-6-9(14)4-5-10(11)12/h4-7,15-16H,8H2,1-3H3
InChIKeyAPJRORDLWQXPOW-UHFFFAOYSA-N
XLogP3.43
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1H-indol-3-yl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 2-(6-bromo-1H-indol-3-yl)-N,2-dimethylpropan-1-amine (CID 84642871) is 2-(6-bromo-1H-indol-3-yl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 2-(6-bromo-1H-indol-3-yl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 2-(6-bromo-1H-indol-3-yl)-N,2-dimethylpropan-1-amine is CNCC(C)(C)c1c[nH]c2cc(Br)ccc12.
What is the InChIKey of 2-(6-bromo-1H-indol-3-yl)-N,2-dimethylpropan-1-amine?
The InChIKey is APJRORDLWQXPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2/c1-13(2,8-15-3)11-7-16-12-6-9(14)4-5-10(11)12/h4-7,15-16H,8H2,1-3H3.
What are the key properties of 2-(6-bromo-1H-indol-3-yl)-N,2-dimethylpropan-1-amine?
2-(6-bromo-1H-indol-3-yl)-N,2-dimethylpropan-1-amine has a molecular weight of 281.20 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1H-indol-3-yl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 84642871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).