6-bromo-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline

C17H18BrNO — CID 10042357

IUPAC6-bromo-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1Br)CCN(C)C2c1ccccc1
InChIInChI=1S/C17H18BrNO/c1-19-9-8-13-10-15(18)16(20-2)11-14(13)17(19)12-6-4-3-5-7-12/h3-7,10-11,17H,8-9H2,1-2H3
InChIKeyCTFGYGVHUZSQFG-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.03
Rot. Bonds2

About 6-bromo-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline

6-bromo-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline (PubChem CID 10042357) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 6-bromo-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6-bromo-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline
PubChem CID10042357
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name6-bromo-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1Br)CCN(C)C2c1ccccc1
InChIInChI=1S/C17H18BrNO/c1-19-9-8-13-10-15(18)16(20-2)11-14(13)17(19)12-6-4-3-5-7-12/h3-7,10-11,17H,8-9H2,1-2H3
InChIKeyCTFGYGVHUZSQFG-UHFFFAOYSA-N
XLogP4.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-7-methoxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine
CID 12928531
6,7-dimethoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline
CID 122227728
6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 11022872
(1S)-2-benzyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline
CID 25389894
1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 4869004
1-(4-chlorophenyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
CID 23757267
4-bromo-2-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)phenol
CID 609741
2-[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid
CID 51434142
1-bromo-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 116995533
(1R)-6,7-dimethoxy-2-[(2R)-2-methylpyrrolidin-1-yl]-1-phenyl-3,4-dihydro-1H-isoquinoline
CID 134925157
8-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)octanoic acid
CID 22662976
(1S)-2-hept-6-ynyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline
CID 11428474

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6-bromo-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline (CID 10042357) is 6-bromo-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6-bromo-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6-bromo-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline is COc1cc2c(cc1Br)CCN(C)C2c1ccccc1.
What is the InChIKey of 6-bromo-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is CTFGYGVHUZSQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-19-9-8-13-10-15(18)16(20-2)11-14(13)17(19)12-6-4-3-5-7-12/h3-7,10-11,17H,8-9H2,1-2H3.
What are the key properties of 6-bromo-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline?
6-bromo-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 332.24 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 10042357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).