N-tert-butyl-6-methyl-4-(4-methylphenyl)quinolin-2-amine

C21H24N2 — CID 122214106

IUPACN-tert-butyl-6-methyl-4-(4-methylphenyl)quinolin-2-amine
SMILESCc1ccc(-c2cc(NC(C)(C)C)nc3ccc(C)cc23)cc1
InChIInChI=1S/C21H24N2/c1-14-6-9-16(10-7-14)17-13-20(23-21(3,4)5)22-19-11-8-15(2)12-18(17)19/h6-13H,1-5H3,(H,22,23)
InChIKeyLGFKAKPHJNQKMB-UHFFFAOYSA-N
MW304.44 g/mol
LogP5.73
Rot. Bonds2

About N-tert-butyl-6-methyl-4-(4-methylphenyl)quinolin-2-amine

N-tert-butyl-6-methyl-4-(4-methylphenyl)quinolin-2-amine (PubChem CID 122214106) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N-tert-butyl-6-methyl-4-(4-methylphenyl)quinolin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-6-methyl-4-(4-methylphenyl)quinolin-2-amine
PubChem CID122214106
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC NameN-tert-butyl-6-methyl-4-(4-methylphenyl)quinolin-2-amine
SMILESCc1ccc(-c2cc(NC(C)(C)C)nc3ccc(C)cc23)cc1
InChIInChI=1S/C21H24N2/c1-14-6-9-16(10-7-14)17-13-20(23-21(3,4)5)22-19-11-8-15(2)12-18(17)19/h6-13H,1-5H3,(H,22,23)
InChIKeyLGFKAKPHJNQKMB-UHFFFAOYSA-N
XLogP5.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.44
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-N,4-diphenylquinolin-2-amine
CID 139231040
4-(4-methoxyphenyl)-6-methyl-N-phenylquinolin-2-amine
CID 139231045
2-(difluoromethyl)-6-methyl-4-phenylquinoline
CID 164677049
6-methyl-2,4-dinaphthalen-2-ylquinoline
CID 164677204
N-tert-butyl-6-methylquinazolin-4-amine
CID 21002439
6-methyl-2-naphthalen-1-yl-4-phenylquinoline
CID 154716813
6-methoxy-2-methyl-4-(4-methylphenyl)quinoline
CID 101221850
6-methyl-4-phenylquinoline
CID 15512349
7-methyl-2-(4-methylphenyl)-4-phenylquinoline
CID 154716816
4-tert-butyl-2,6-dimethylquinoline
CID 20728117
2-(4-methoxyphenyl)-6-[2-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]propan-2-yl]-4-phenylquinoline
CID 59685790
2-(4-chlorophenyl)-4-(4-methylphenyl)-6-(trifluoromethyl)quinoline
CID 11825462

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-methyl-4-(4-methylphenyl)quinolin-2-amine?
The IUPAC name of N-tert-butyl-6-methyl-4-(4-methylphenyl)quinolin-2-amine (CID 122214106) is N-tert-butyl-6-methyl-4-(4-methylphenyl)quinolin-2-amine.
What is the SMILES notation for N-tert-butyl-6-methyl-4-(4-methylphenyl)quinolin-2-amine?
The canonical SMILES for N-tert-butyl-6-methyl-4-(4-methylphenyl)quinolin-2-amine is Cc1ccc(-c2cc(NC(C)(C)C)nc3ccc(C)cc23)cc1.
What is the InChIKey of N-tert-butyl-6-methyl-4-(4-methylphenyl)quinolin-2-amine?
The InChIKey is LGFKAKPHJNQKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-14-6-9-16(10-7-14)17-13-20(23-21(3,4)5)22-19-11-8-15(2)12-18(17)19/h6-13H,1-5H3,(H,22,23).
What are the key properties of N-tert-butyl-6-methyl-4-(4-methylphenyl)quinolin-2-amine?
N-tert-butyl-6-methyl-4-(4-methylphenyl)quinolin-2-amine has a molecular weight of 304.44 g/mol, XLogP of 5.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-methyl-4-(4-methylphenyl)quinolin-2-amine is sourced from PubChem (CID 122214106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).