5-(8-bromo-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-methylphenol

C17H17BrClNO — CID 135207424

IUPAC5-(8-bromo-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-methylphenol
SMILESCc1ccc(C2CN(C)Cc3c(Br)cc(Cl)cc32)cc1O
InChIInChI=1S/C17H17BrClNO/c1-10-3-4-11(5-17(10)21)14-8-20(2)9-15-13(14)6-12(19)7-16(15)18/h3-7,14,21H,8-9H2,1-2H3
InChIKeyJQYJTSKKZMZDTR-UHFFFAOYSA-N
MW366.69 g/mol
LogP4.69
Rot. Bonds1

About 5-(8-bromo-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-methylphenol

5-(8-bromo-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-methylphenol (PubChem CID 135207424) has the molecular formula C17H17BrClNO and a molecular weight of 366.69 g/mol. Its IUPAC name is 5-(8-bromo-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-methylphenol.

Molecular Properties

Compound Name5-(8-bromo-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-methylphenol
PubChem CID135207424
Molecular FormulaC17H17BrClNO
Molecular Weight366.69 g/mol
Exact Mass365.02
IUPAC Name5-(8-bromo-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-methylphenol
SMILESCc1ccc(C2CN(C)Cc3c(Br)cc(Cl)cc32)cc1O
InChIInChI=1S/C17H17BrClNO/c1-10-3-4-11(5-17(10)21)14-8-20(2)9-15-13(14)6-12(19)7-16(15)18/h3-7,14,21H,8-9H2,1-2H3
InChIKeyJQYJTSKKZMZDTR-UHFFFAOYSA-N
XLogP4.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.69
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-methylbenzenesulfonyl chloride
CID 153293652
1-[4-(6-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]ethanone
CID 144731900
6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 172804184
6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline;ethane
CID 142248458
CID 159969792
CID 159969792
1-[2-[(4R)-8-bromo-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione;hydrochloride
CID 162337069
3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)benzoic acid
CID 22386852
6,8-dichloro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 170347631
N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]ethanimine
CID 70905988
4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]benzenesulfonyl chloride;hydrochloride
CID 135207528
N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2-(methylamino)acetamide
CID 10215836
1-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]cyclopropane-1-carboxamide
CID 159674949

Frequently Asked Questions

What is the IUPAC name of 5-(8-bromo-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-methylphenol?
The IUPAC name of 5-(8-bromo-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-methylphenol (CID 135207424) is 5-(8-bromo-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-methylphenol.
What is the SMILES notation for 5-(8-bromo-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-methylphenol?
The canonical SMILES for 5-(8-bromo-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-methylphenol is Cc1ccc(C2CN(C)Cc3c(Br)cc(Cl)cc32)cc1O.
What is the InChIKey of 5-(8-bromo-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-methylphenol?
The InChIKey is JQYJTSKKZMZDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO/c1-10-3-4-11(5-17(10)21)14-8-20(2)9-15-13(14)6-12(19)7-16(15)18/h3-7,14,21H,8-9H2,1-2H3.
What are the key properties of 5-(8-bromo-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-methylphenol?
5-(8-bromo-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-methylphenol has a molecular weight of 366.69 g/mol, XLogP of 4.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-bromo-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-methylphenol is sourced from PubChem (CID 135207424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).