2-(3-bromo-5-tert-butyl-1-methylindol-2-yl)propan-2-amine

C16H23BrN2 — CID 84646099

IUPAC2-(3-bromo-5-tert-butyl-1-methylindol-2-yl)propan-2-amine
SMILESCn1c(C(C)(C)N)c(Br)c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C16H23BrN2/c1-15(2,3)10-7-8-12-11(9-10)13(17)14(19(12)6)16(4,5)18/h7-9H,18H2,1-6H3
InChIKeyXEYXFCHJVQXHRY-UHFFFAOYSA-N
MW323.28 g/mol
LogP4.43
Rot. Bonds1

About 2-(3-bromo-5-tert-butyl-1-methylindol-2-yl)propan-2-amine

2-(3-bromo-5-tert-butyl-1-methylindol-2-yl)propan-2-amine (PubChem CID 84646099) has the molecular formula C16H23BrN2 and a molecular weight of 323.28 g/mol. Its IUPAC name is 2-(3-bromo-5-tert-butyl-1-methylindol-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(3-bromo-5-tert-butyl-1-methylindol-2-yl)propan-2-amine
PubChem CID84646099
Molecular FormulaC16H23BrN2
Molecular Weight323.28 g/mol
Exact Mass322.10
IUPAC Name2-(3-bromo-5-tert-butyl-1-methylindol-2-yl)propan-2-amine
SMILESCn1c(C(C)(C)N)c(Br)c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C16H23BrN2/c1-15(2,3)10-7-8-12-11(9-10)13(17)14(19(12)6)16(4,5)18/h7-9H,18H2,1-6H3
InChIKeyXEYXFCHJVQXHRY-UHFFFAOYSA-N
XLogP4.43
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromo-5-tert-butyl-1-methylindol-2-yl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-tert-butyl-1-methylindol-2-yl)propan-2-amine?
The IUPAC name of 2-(3-bromo-5-tert-butyl-1-methylindol-2-yl)propan-2-amine (CID 84646099) is 2-(3-bromo-5-tert-butyl-1-methylindol-2-yl)propan-2-amine.
What is the SMILES notation for 2-(3-bromo-5-tert-butyl-1-methylindol-2-yl)propan-2-amine?
The canonical SMILES for 2-(3-bromo-5-tert-butyl-1-methylindol-2-yl)propan-2-amine is Cn1c(C(C)(C)N)c(Br)c2cc(C(C)(C)C)ccc21.
What is the InChIKey of 2-(3-bromo-5-tert-butyl-1-methylindol-2-yl)propan-2-amine?
The InChIKey is XEYXFCHJVQXHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2/c1-15(2,3)10-7-8-12-11(9-10)13(17)14(19(12)6)16(4,5)18/h7-9H,18H2,1-6H3.
What are the key properties of 2-(3-bromo-5-tert-butyl-1-methylindol-2-yl)propan-2-amine?
2-(3-bromo-5-tert-butyl-1-methylindol-2-yl)propan-2-amine has a molecular weight of 323.28 g/mol, XLogP of 4.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-tert-butyl-1-methylindol-2-yl)propan-2-amine is sourced from PubChem (CID 84646099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).