N-(2-bromo-4-methylphenyl)-4-methylquinolin-2-amine

C17H15BrN2 — CID 11537178

IUPACN-(2-bromo-4-methylphenyl)-4-methylquinolin-2-amine
SMILESCc1ccc(Nc2cc(C)c3ccccc3n2)c(Br)c1
InChIInChI=1S/C17H15BrN2/c1-11-7-8-16(14(18)9-11)20-17-10-12(2)13-5-3-4-6-15(13)19-17/h3-10H,1-2H3,(H,19,20)
InChIKeyGXVWKVFBHPVOSU-UHFFFAOYSA-N
MW327.23 g/mol
LogP5.36
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)-4-methylquinolin-2-amine

N-(2-bromo-4-methylphenyl)-4-methylquinolin-2-amine (PubChem CID 11537178) has the molecular formula C17H15BrN2 and a molecular weight of 327.23 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-4-methylquinolin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-4-methylquinolin-2-amine
PubChem CID11537178
Molecular FormulaC17H15BrN2
Molecular Weight327.23 g/mol
Exact Mass326.04
IUPAC NameN-(2-bromo-4-methylphenyl)-4-methylquinolin-2-amine
SMILESCc1ccc(Nc2cc(C)c3ccccc3n2)c(Br)c1
InChIInChI=1S/C17H15BrN2/c1-11-7-8-16(14(18)9-11)20-17-10-12(2)13-5-3-4-6-15(13)19-17/h3-10H,1-2H3,(H,19,20)
InChIKeyGXVWKVFBHPVOSU-UHFFFAOYSA-N
XLogP5.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.23
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-N-(4-methylquinolin-2-yl)benzene-1,2-diamine
CID 10378080
N-(2-methoxy-5-methylphenyl)-4-methylquinolin-2-amine
CID 619056
4-methyl-N-phenylquinolin-2-amine
CID 616278
N-(2,3-dimethylphenyl)-4-methylquinolin-2-amine;hydrochloride
CID 56728827
6-N-(2-bromo-4-methylphenyl)-2-N-methylpyridine-2,6-diamine
CID 80767793
4-N-(2-bromo-4-methylphenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80768591
N-(2-methoxyphenyl)-4-methylquinolin-2-amine
CID 847633
N-(3-chloro-2-methylphenyl)-4-methylquinolin-2-amine
CID 5204152
2-(2,4-dimethylanilino)quinoline-4-carbonitrile
CID 63883902
4-N-(2-bromo-4-methylphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80768997
N-(2-bromo-4-methylphenyl)-2-(2-fluorophenyl)quinazolin-4-amine
CID 3428781
2-(2,4-dimethylanilino)quinoline-4-carboxylate
CID 4166548

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-4-methylquinolin-2-amine?
The IUPAC name of N-(2-bromo-4-methylphenyl)-4-methylquinolin-2-amine (CID 11537178) is N-(2-bromo-4-methylphenyl)-4-methylquinolin-2-amine.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-4-methylquinolin-2-amine?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-4-methylquinolin-2-amine is Cc1ccc(Nc2cc(C)c3ccccc3n2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-4-methylquinolin-2-amine?
The InChIKey is GXVWKVFBHPVOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2/c1-11-7-8-16(14(18)9-11)20-17-10-12(2)13-5-3-4-6-15(13)19-17/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-(2-bromo-4-methylphenyl)-4-methylquinolin-2-amine?
N-(2-bromo-4-methylphenyl)-4-methylquinolin-2-amine has a molecular weight of 327.23 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-4-methylquinolin-2-amine is sourced from PubChem (CID 11537178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).