6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine

C15H16BrFN2 — CID 54591862

IUPAC6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine
SMILESCC(C)(CNc1cccc(Br)n1)c1ccc(F)cc1
InChIInChI=1S/C15H16BrFN2/c1-15(2,11-6-8-12(17)9-7-11)10-18-14-5-3-4-13(16)19-14/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyRBVZNQWLFKABBE-UHFFFAOYSA-N
MW323.21 g/mol
LogP4.37
Rot. Bonds4

About 6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine

6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine (PubChem CID 54591862) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is 6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine
PubChem CID54591862
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC Name6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine
SMILESCC(C)(CNc1cccc(Br)n1)c1ccc(F)cc1
InChIInChI=1S/C15H16BrFN2/c1-15(2,11-6-8-12(17)9-7-11)10-18-14-5-3-4-13(16)19-14/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyRBVZNQWLFKABBE-UHFFFAOYSA-N
XLogP4.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine?
The IUPAC name of 6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine (CID 54591862) is 6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine?
The canonical SMILES for 6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine is CC(C)(CNc1cccc(Br)n1)c1ccc(F)cc1.
What is the InChIKey of 6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine?
The InChIKey is RBVZNQWLFKABBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-15(2,11-6-8-12(17)9-7-11)10-18-14-5-3-4-13(16)19-14/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine?
6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine has a molecular weight of 323.21 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine is sourced from PubChem (CID 54591862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).