5-bromo-6-(1,2-diphenylethyl)pyridin-2-amine

C19H17BrN2 — CID 11631702

IUPAC5-bromo-6-(1,2-diphenylethyl)pyridin-2-amine
SMILESNc1ccc(Br)c(C(Cc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C19H17BrN2/c20-17-11-12-18(21)22-19(17)16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-12,16H,13H2,(H2,21,22)
InChIKeyKENGBCSMINTFRF-UHFFFAOYSA-N
MW353.26 g/mol
LogP4.80
Rot. Bonds4

About 5-bromo-6-(1,2-diphenylethyl)pyridin-2-amine

5-bromo-6-(1,2-diphenylethyl)pyridin-2-amine (PubChem CID 11631702) has the molecular formula C19H17BrN2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 5-bromo-6-(1,2-diphenylethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-6-(1,2-diphenylethyl)pyridin-2-amine
PubChem CID11631702
Molecular FormulaC19H17BrN2
Molecular Weight353.26 g/mol
Exact Mass352.06
IUPAC Name5-bromo-6-(1,2-diphenylethyl)pyridin-2-amine
SMILESNc1ccc(Br)c(C(Cc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C19H17BrN2/c20-17-11-12-18(21)22-19(17)16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-12,16H,13H2,(H2,21,22)
InChIKeyKENGBCSMINTFRF-UHFFFAOYSA-N
XLogP4.80
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-6-(1,2-diphenylethyl)pyridin-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 5-bromo-6-(1,2-diphenylethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-6-(1,2-diphenylethyl)pyridin-2-amine (CID 11631702) is 5-bromo-6-(1,2-diphenylethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-6-(1,2-diphenylethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-6-(1,2-diphenylethyl)pyridin-2-amine is Nc1ccc(Br)c(C(Cc2ccccc2)c2ccccc2)n1.
What is the InChIKey of 5-bromo-6-(1,2-diphenylethyl)pyridin-2-amine?
The InChIKey is KENGBCSMINTFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2/c20-17-11-12-18(21)22-19(17)16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-12,16H,13H2,(H2,21,22).
What are the key properties of 5-bromo-6-(1,2-diphenylethyl)pyridin-2-amine?
5-bromo-6-(1,2-diphenylethyl)pyridin-2-amine has a molecular weight of 353.26 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(1,2-diphenylethyl)pyridin-2-amine is sourced from PubChem (CID 11631702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).