6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridin-2-amine

C17H21BrN2 — CID 22292710

IUPAC6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridin-2-amine
SMILESCC(C)c1cccc(C(C)C)c1Nc1cccc(Br)n1
InChIInChI=1S/C17H21BrN2/c1-11(2)13-7-5-8-14(12(3)4)17(13)20-16-10-6-9-15(18)19-16/h5-12H,1-4H3,(H,19,20)
InChIKeyOTWXHOUIAOPQLG-UHFFFAOYSA-N
MW333.27 g/mol
LogP5.83
Rot. Bonds4

About 6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridin-2-amine

6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridin-2-amine (PubChem CID 22292710) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridin-2-amine
PubChem CID22292710
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridin-2-amine
SMILESCC(C)c1cccc(C(C)C)c1Nc1cccc(Br)n1
InChIInChI=1S/C17H21BrN2/c1-11(2)13-7-5-8-14(12(3)4)17(13)20-16-10-6-9-15(18)19-16/h5-12H,1-4H3,(H,19,20)
InChIKeyOTWXHOUIAOPQLG-UHFFFAOYSA-N
XLogP5.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.27
LogP ≤ 55.83
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-[2,6-di(propan-2-yl)phenyl]pyridin-2-amine?
The IUPAC name of 6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridin-2-amine (CID 22292710) is 6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridin-2-amine?
The canonical SMILES for 6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridin-2-amine is CC(C)c1cccc(C(C)C)c1Nc1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridin-2-amine?
The InChIKey is OTWXHOUIAOPQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-11(2)13-7-5-8-14(12(3)4)17(13)20-16-10-6-9-15(18)19-16/h5-12H,1-4H3,(H,19,20).
What are the key properties of 6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridin-2-amine?
6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridin-2-amine has a molecular weight of 333.27 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridin-2-amine is sourced from PubChem (CID 22292710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).