1-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine

C15H18BrN3 — CID 83170015

IUPAC1-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine
SMILESCc1cc(Br)cnc1-n1c(C)cc2c1CCCC2N
InChIInChI=1S/C15H18BrN3/c1-9-6-11(16)8-18-15(9)19-10(2)7-12-13(17)4-3-5-14(12)19/h6-8,13H,3-5,17H2,1-2H3
InChIKeyROBVMMOQPFAWRO-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.59
Rot. Bonds1

About 1-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine

1-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine (PubChem CID 83170015) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine.

Molecular Properties

Compound Name1-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine
PubChem CID83170015
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name1-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine
SMILESCc1cc(Br)cnc1-n1c(C)cc2c1CCCC2N
InChIInChI=1S/C15H18BrN3/c1-9-6-11(16)8-18-15(9)19-10(2)7-12-13(17)4-3-5-14(12)19/h6-8,13H,3-5,17H2,1-2H3
InChIKeyROBVMMOQPFAWRO-UHFFFAOYSA-N
XLogP3.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine?
The IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine (CID 83170015) is 1-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine.
What is the SMILES notation for 1-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine?
The canonical SMILES for 1-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine is Cc1cc(Br)cnc1-n1c(C)cc2c1CCCC2N.
What is the InChIKey of 1-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine?
The InChIKey is ROBVMMOQPFAWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-9-6-11(16)8-18-15(9)19-10(2)7-12-13(17)4-3-5-14(12)19/h6-8,13H,3-5,17H2,1-2H3.
What are the key properties of 1-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine?
1-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine has a molecular weight of 320.23 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine is sourced from PubChem (CID 83170015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).