N-(4-bromophenyl)-4,6,8-trimethylquinolin-2-amine;hydrochloride

C18H18BrClN2 — CID 56728926

IUPACN-(4-bromophenyl)-4,6,8-trimethylquinolin-2-amine;hydrochloride
SMILESCc1cc(C)c2nc(Nc3ccc(Br)cc3)cc(C)c2c1.Cl
InChIInChI=1S/C18H17BrN2.ClH/c1-11-8-13(3)18-16(9-11)12(2)10-17(21-18)20-15-6-4-14(19)5-7-15;/h4-10H,1-3H3,(H,20,21);1H
InChIKeyCOBCFBBBLBAQHN-UHFFFAOYSA-N
MW377.71 g/mol
LogP6.09
Rot. Bonds2

About N-(4-bromophenyl)-4,6,8-trimethylquinolin-2-amine;hydrochloride

N-(4-bromophenyl)-4,6,8-trimethylquinolin-2-amine;hydrochloride (PubChem CID 56728926) has the molecular formula C18H18BrClN2 and a molecular weight of 377.71 g/mol. Its IUPAC name is N-(4-bromophenyl)-4,6,8-trimethylquinolin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-bromophenyl)-4,6,8-trimethylquinolin-2-amine;hydrochloride
PubChem CID56728926
Molecular FormulaC18H18BrClN2
Molecular Weight377.71 g/mol
Exact Mass376.03
IUPAC NameN-(4-bromophenyl)-4,6,8-trimethylquinolin-2-amine;hydrochloride
SMILESCc1cc(C)c2nc(Nc3ccc(Br)cc3)cc(C)c2c1.Cl
InChIInChI=1S/C18H17BrN2.ClH/c1-11-8-13(3)18-16(9-11)12(2)10-17(21-18)20-15-6-4-14(19)5-7-15;/h4-10H,1-3H3,(H,20,21);1H
InChIKeyCOBCFBBBLBAQHN-UHFFFAOYSA-N
XLogP6.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.71
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-4,6,8-trimethylquinolin-2-amine
CID 50739348
4-N-(4-bromophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876895
N-(4-methoxyphenyl)-4,6-dimethylquinolin-2-amine;hydrochloride
CID 2876854
4,6,8-trimethyl-N-(1-naphthalen-1-ylethyl)quinolin-2-amine;hydrochloride
CID 56728935
3-N-(4-bromophenyl)-5-methylbenzene-1,3-diamine
CID 112647051
4-[(2,6,8-trimethylquinolin-4-yl)amino]phenol
CID 696659
N-(4-bromophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648072
4-N-(4-bromophenyl)-2-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928421
N-(4-bromophenyl)-4-(trifluoromethyl)-6-(2,4,6-trimethylphenoxy)pyrimidin-2-amine
CID 58974974
methyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648155
4-N-(4-bromophenyl)-2-methyl-6-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871986
4,5,7-trimethyl-N-phenylquinolin-2-amine
CID 740918

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4,6,8-trimethylquinolin-2-amine;hydrochloride?
The IUPAC name of N-(4-bromophenyl)-4,6,8-trimethylquinolin-2-amine;hydrochloride (CID 56728926) is N-(4-bromophenyl)-4,6,8-trimethylquinolin-2-amine;hydrochloride.
What is the SMILES notation for N-(4-bromophenyl)-4,6,8-trimethylquinolin-2-amine;hydrochloride?
The canonical SMILES for N-(4-bromophenyl)-4,6,8-trimethylquinolin-2-amine;hydrochloride is Cc1cc(C)c2nc(Nc3ccc(Br)cc3)cc(C)c2c1.Cl.
What is the InChIKey of N-(4-bromophenyl)-4,6,8-trimethylquinolin-2-amine;hydrochloride?
The InChIKey is COBCFBBBLBAQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2.ClH/c1-11-8-13(3)18-16(9-11)12(2)10-17(21-18)20-15-6-4-14(19)5-7-15;/h4-10H,1-3H3,(H,20,21);1H.
What are the key properties of N-(4-bromophenyl)-4,6,8-trimethylquinolin-2-amine;hydrochloride?
N-(4-bromophenyl)-4,6,8-trimethylquinolin-2-amine;hydrochloride has a molecular weight of 377.71 g/mol, XLogP of 6.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4,6,8-trimethylquinolin-2-amine;hydrochloride is sourced from PubChem (CID 56728926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).