N-(2-bromo-4-propan-2-ylphenyl)-N-methylpyridin-2-amine

C15H17BrN2 — CID 67761566

IUPACN-(2-bromo-4-propan-2-ylphenyl)-N-methylpyridin-2-amine
SMILESCC(C)c1ccc(N(C)c2ccccn2)c(Br)c1
InChIInChI=1S/C15H17BrN2/c1-11(2)12-7-8-14(13(16)10-12)18(3)15-6-4-5-9-17-15/h4-11H,1-3H3
InChIKeyBFXMNIAWMMLUIE-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.74
Rot. Bonds3

About N-(2-bromo-4-propan-2-ylphenyl)-N-methylpyridin-2-amine

N-(2-bromo-4-propan-2-ylphenyl)-N-methylpyridin-2-amine (PubChem CID 67761566) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is N-(2-bromo-4-propan-2-ylphenyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4-propan-2-ylphenyl)-N-methylpyridin-2-amine
PubChem CID67761566
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC NameN-(2-bromo-4-propan-2-ylphenyl)-N-methylpyridin-2-amine
SMILESCC(C)c1ccc(N(C)c2ccccn2)c(Br)c1
InChIInChI=1S/C15H17BrN2/c1-11(2)12-7-8-14(13(16)10-12)18(3)15-6-4-5-9-17-15/h4-11H,1-3H3
InChIKeyBFXMNIAWMMLUIE-UHFFFAOYSA-N
XLogP4.74
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(2-bromo-4-propan-2-ylphenyl)-N-methylpyridin-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 N-(2-bromo-4-propan-2-ylphenyl)-N-methylpyridin-2-amine?
The IUPAC name of N-(2-bromo-4-propan-2-ylphenyl)-N-methylpyridin-2-amine (CID 67761566) is N-(2-bromo-4-propan-2-ylphenyl)-N-methylpyridin-2-amine.
What is the SMILES notation for N-(2-bromo-4-propan-2-ylphenyl)-N-methylpyridin-2-amine?
The canonical SMILES for N-(2-bromo-4-propan-2-ylphenyl)-N-methylpyridin-2-amine is CC(C)c1ccc(N(C)c2ccccn2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-propan-2-ylphenyl)-N-methylpyridin-2-amine?
The InChIKey is BFXMNIAWMMLUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-11(2)12-7-8-14(13(16)10-12)18(3)15-6-4-5-9-17-15/h4-11H,1-3H3.
What are the key properties of N-(2-bromo-4-propan-2-ylphenyl)-N-methylpyridin-2-amine?
N-(2-bromo-4-propan-2-ylphenyl)-N-methylpyridin-2-amine has a molecular weight of 305.22 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-propan-2-ylphenyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 67761566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).