6-bromo-7-methyl-3-propan-2-yl-3,4-dihydroisoquinoline

C13H16BrN — CID 153483175

IUPAC6-bromo-7-methyl-3-propan-2-yl-3,4-dihydroisoquinoline
SMILESCc1cc2c(cc1Br)CC(C(C)C)N=C2
InChIInChI=1S/C13H16BrN/c1-8(2)13-6-10-5-12(14)9(3)4-11(10)7-15-13/h4-5,7-8,13H,6H2,1-3H3
InChIKeyYGTIDWDOWMKROQ-UHFFFAOYSA-N
MW266.18 g/mol
LogP3.76
Rot. Bonds1

About 6-bromo-7-methyl-3-propan-2-yl-3,4-dihydroisoquinoline

6-bromo-7-methyl-3-propan-2-yl-3,4-dihydroisoquinoline (PubChem CID 153483175) has the molecular formula C13H16BrN and a molecular weight of 266.18 g/mol. Its IUPAC name is 6-bromo-7-methyl-3-propan-2-yl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name6-bromo-7-methyl-3-propan-2-yl-3,4-dihydroisoquinoline
PubChem CID153483175
Molecular FormulaC13H16BrN
Molecular Weight266.18 g/mol
Exact Mass265.05
IUPAC Name6-bromo-7-methyl-3-propan-2-yl-3,4-dihydroisoquinoline
SMILESCc1cc2c(cc1Br)CC(C(C)C)N=C2
InChIInChI=1S/C13H16BrN/c1-8(2)13-6-10-5-12(14)9(3)4-11(10)7-15-13/h4-5,7-8,13H,6H2,1-3H3
InChIKeyYGTIDWDOWMKROQ-UHFFFAOYSA-N
XLogP3.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-Bromo-3,4-dihydroisoquinoline
CID 12000034
5-Bromo-3,4-dihydroisoquinoline
CID 97301466
6-Bromo-1-methyl-3,4-dihydroisoquinoline
CID 58416380
8-Bromo-5-fluoro-4-methyl-3,4-dihydroisoquinoline
CID 155399308
8-Bromo-5-fluoro-3-methyl-3,4-dihydroisoquinoline
CID 155399312
5-Bromo-7-fluoro-1-propan-2-yl-3,4-dihydroisoquinoline
CID 178260847
7-Bromo-4,4-difluoro-3,3-dimethylisoquinoline
CID 151183022
1-n-Butyl-7-bromo-3,4-dihydroisoquinoline
CID 15885180
7-Bromo-1-isopropyl-3,4-dihydroisoquinoline
CID 18680068
7-Bromo-3,4-dihydro-1-propylisoquinoline
CID 18680122
7-Bromo-1-methyl-3,4-dihydroisoquinoline
CID 18680136
6-Bromo-3,4-dihydro-1-(1-methylethyl)isoquinoline
CID 18680156

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-methyl-3-propan-2-yl-3,4-dihydroisoquinoline?
The IUPAC name of 6-bromo-7-methyl-3-propan-2-yl-3,4-dihydroisoquinoline (CID 153483175) is 6-bromo-7-methyl-3-propan-2-yl-3,4-dihydroisoquinoline.
What is the SMILES notation for 6-bromo-7-methyl-3-propan-2-yl-3,4-dihydroisoquinoline?
The canonical SMILES for 6-bromo-7-methyl-3-propan-2-yl-3,4-dihydroisoquinoline is Cc1cc2c(cc1Br)CC(C(C)C)N=C2.
What is the InChIKey of 6-bromo-7-methyl-3-propan-2-yl-3,4-dihydroisoquinoline?
The InChIKey is YGTIDWDOWMKROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN/c1-8(2)13-6-10-5-12(14)9(3)4-11(10)7-15-13/h4-5,7-8,13H,6H2,1-3H3.
What are the key properties of 6-bromo-7-methyl-3-propan-2-yl-3,4-dihydroisoquinoline?
6-bromo-7-methyl-3-propan-2-yl-3,4-dihydroisoquinoline has a molecular weight of 266.18 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-methyl-3-propan-2-yl-3,4-dihydroisoquinoline is sourced from PubChem (CID 153483175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).