2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-bromo-3-methylphenyl)ethanamine

C15H21BrN2 — CID 66474831

IUPAC2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-bromo-3-methylphenyl)ethanamine
SMILESCc1cc(C(CN)N2CC3CCC2C3)ccc1Br
InChIInChI=1S/C15H21BrN2/c1-10-6-12(3-5-14(10)16)15(8-17)18-9-11-2-4-13(18)7-11/h3,5-6,11,13,15H,2,4,7-9,17H2,1H3
InChIKeyAGAZSKFXNZYSMU-UHFFFAOYSA-N
MW309.25 g/mol
LogP3.24
Rot. Bonds3

About 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-bromo-3-methylphenyl)ethanamine

2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-bromo-3-methylphenyl)ethanamine (PubChem CID 66474831) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-bromo-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-bromo-3-methylphenyl)ethanamine
PubChem CID66474831
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-bromo-3-methylphenyl)ethanamine
SMILESCc1cc(C(CN)N2CC3CCC2C3)ccc1Br
InChIInChI=1S/C15H21BrN2/c1-10-6-12(3-5-14(10)16)15(8-17)18-9-11-2-4-13(18)7-11/h3,5-6,11,13,15H,2,4,7-9,17H2,1H3
InChIKeyAGAZSKFXNZYSMU-UHFFFAOYSA-N
XLogP3.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-bromo-3-methylphenyl)ethanamine 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-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-bromo-3-methylphenyl)ethanamine?
The IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-bromo-3-methylphenyl)ethanamine (CID 66474831) is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-bromo-3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-bromo-3-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-bromo-3-methylphenyl)ethanamine is Cc1cc(C(CN)N2CC3CCC2C3)ccc1Br.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-bromo-3-methylphenyl)ethanamine?
The InChIKey is AGAZSKFXNZYSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c1-10-6-12(3-5-14(10)16)15(8-17)18-9-11-2-4-13(18)7-11/h3,5-6,11,13,15H,2,4,7-9,17H2,1H3.
What are the key properties of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-bromo-3-methylphenyl)ethanamine?
2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-bromo-3-methylphenyl)ethanamine has a molecular weight of 309.25 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-bromo-3-methylphenyl)ethanamine is sourced from PubChem (CID 66474831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).