5-bromo-N-(5-tert-butyl-2-methylphenyl)-4-methylpyridin-2-amine

C17H21BrN2 — CID 115146961

IUPAC5-bromo-N-(5-tert-butyl-2-methylphenyl)-4-methylpyridin-2-amine
SMILESCc1cc(Nc2cc(C(C)(C)C)ccc2C)ncc1Br
InChIInChI=1S/C17H21BrN2/c1-11-6-7-13(17(3,4)5)9-15(11)20-16-8-12(2)14(18)10-19-16/h6-10H,1-5H3,(H,19,20)
InChIKeyVPEOCOUEIBMFIJ-UHFFFAOYSA-N
MW333.27 g/mol
LogP5.50
Rot. Bonds2

About 5-bromo-N-(5-tert-butyl-2-methylphenyl)-4-methylpyridin-2-amine

5-bromo-N-(5-tert-butyl-2-methylphenyl)-4-methylpyridin-2-amine (PubChem CID 115146961) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 5-bromo-N-(5-tert-butyl-2-methylphenyl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(5-tert-butyl-2-methylphenyl)-4-methylpyridin-2-amine
PubChem CID115146961
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name5-bromo-N-(5-tert-butyl-2-methylphenyl)-4-methylpyridin-2-amine
SMILESCc1cc(Nc2cc(C(C)(C)C)ccc2C)ncc1Br
InChIInChI=1S/C17H21BrN2/c1-11-6-7-13(17(3,4)5)9-15(11)20-16-8-12(2)14(18)10-19-16/h6-10H,1-5H3,(H,19,20)
InChIKeyVPEOCOUEIBMFIJ-UHFFFAOYSA-N
XLogP5.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.27
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(2,5-dimethylphenyl)-4-methylpyridin-2-amine
CID 114870190
5-bromo-N-(2-bromo-5-methylphenyl)-4-methylpyridin-2-amine
CID 114870518
5-bromo-N-(4-bromo-2-methylphenyl)-4-methylpyridin-2-amine
CID 114870136
5-bromo-N-(2-bromo-5-chlorophenyl)-4-methylpyridin-2-amine
CID 114870498
5-bromo-N-(2-bromo-4-fluorophenyl)-4-methylpyridin-2-amine
CID 114870130
5-bromo-4-methyl-N-(2-methylsulfanylphenyl)pyridin-2-amine
CID 107645866
5-bromo-N-(2-chloro-5-methylphenyl)-4-methylpyridin-2-amine
CID 107638028
5-bromo-N-(2-ethylphenyl)-4-methylpyridin-2-amine
CID 114870208
5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine
CID 114263243
4-[(5-bromo-4-methyl-2-pyridinyl)amino]-3-chlorobenzonitrile
CID 114003619
3-bromo-5-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-2-amine
CID 114837222
5-bromo-4-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine
CID 114870519

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-tert-butyl-2-methylphenyl)-4-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-(5-tert-butyl-2-methylphenyl)-4-methylpyridin-2-amine (CID 115146961) is 5-bromo-N-(5-tert-butyl-2-methylphenyl)-4-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(5-tert-butyl-2-methylphenyl)-4-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-(5-tert-butyl-2-methylphenyl)-4-methylpyridin-2-amine is Cc1cc(Nc2cc(C(C)(C)C)ccc2C)ncc1Br.
What is the InChIKey of 5-bromo-N-(5-tert-butyl-2-methylphenyl)-4-methylpyridin-2-amine?
The InChIKey is VPEOCOUEIBMFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-11-6-7-13(17(3,4)5)9-15(11)20-16-8-12(2)14(18)10-19-16/h6-10H,1-5H3,(H,19,20).
What are the key properties of 5-bromo-N-(5-tert-butyl-2-methylphenyl)-4-methylpyridin-2-amine?
5-bromo-N-(5-tert-butyl-2-methylphenyl)-4-methylpyridin-2-amine has a molecular weight of 333.27 g/mol, XLogP of 5.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-tert-butyl-2-methylphenyl)-4-methylpyridin-2-amine is sourced from PubChem (CID 115146961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).