7-bromo-1-methyl-3,4-dihydroisoquinoline

C10H10BrN — CID 18680136

IUPAC7-bromo-1-methyl-3,4-dihydroisoquinoline
SMILESCC1=NCCc2ccc(Br)cc21
InChIInChI=1S/C10H10BrN/c1-7-10-6-9(11)3-2-8(10)4-5-12-7/h2-3,6H,4-5H2,1H3
InChIKeyWKXOECKPJPOIBK-UHFFFAOYSA-N
MW224.10 g/mol
LogP2.81
Rot. Bonds

About 7-bromo-1-methyl-3,4-dihydroisoquinoline

7-bromo-1-methyl-3,4-dihydroisoquinoline (PubChem CID 18680136) has the molecular formula C10H10BrN and a molecular weight of 224.10 g/mol. Its IUPAC name is 7-bromo-1-methyl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name7-bromo-1-methyl-3,4-dihydroisoquinoline
PubChem CID18680136
Molecular FormulaC10H10BrN
Molecular Weight224.10 g/mol
Exact Mass223.00
IUPAC Name7-bromo-1-methyl-3,4-dihydroisoquinoline
SMILESCC1=NCCc2ccc(Br)cc21
InChIInChI=1S/C10H10BrN/c1-7-10-6-9(11)3-2-8(10)4-5-12-7/h2-3,6H,4-5H2,1H3
InChIKeyWKXOECKPJPOIBK-UHFFFAOYSA-N
XLogP2.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methyl-3,4-dihydroisoquinoline
CID 231502
6-(3-Bromophenyl)-2,3,4,5-tetrahydropyridine
CID 127024854
6-(3,5-Dibromophenyl)-2,3,4,5-tetrahydropyridine
CID 127026745
6-(3-Bromo-5-fluorophenyl)-2,3,4,5-tetrahydropyridine
CID 127026746
7-Bromo-3,4-dihydroisoquinoline
CID 12000034
5-Bromo-3,4-dihydroisoquinoline
CID 97301466
N-benzyl-1-(4-bromo-2-fluoro-6-methylphenyl)methanimine
CID 101453925
1-Ethyl-3,4-dihydroisoquinoline
CID 10909851
3-(4-bromophenyl)-2H-azirine
CID 11241008
5-(4-Bromophenyl)-3,4-dihydro-2h-pyrrole
CID 11424611
N-benzyl-1-(4-bromophenyl)ethanimine
CID 12306329
1-(3-Bromophenyl)-3,4-dihydroisoquinoline
CID 44248023

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-methyl-3,4-dihydroisoquinoline?
The IUPAC name of 7-bromo-1-methyl-3,4-dihydroisoquinoline (CID 18680136) is 7-bromo-1-methyl-3,4-dihydroisoquinoline.
What is the SMILES notation for 7-bromo-1-methyl-3,4-dihydroisoquinoline?
The canonical SMILES for 7-bromo-1-methyl-3,4-dihydroisoquinoline is CC1=NCCc2ccc(Br)cc21.
What is the InChIKey of 7-bromo-1-methyl-3,4-dihydroisoquinoline?
The InChIKey is WKXOECKPJPOIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN/c1-7-10-6-9(11)3-2-8(10)4-5-12-7/h2-3,6H,4-5H2,1H3.
What are the key properties of 7-bromo-1-methyl-3,4-dihydroisoquinoline?
7-bromo-1-methyl-3,4-dihydroisoquinoline has a molecular weight of 224.10 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-methyl-3,4-dihydroisoquinoline is sourced from PubChem (CID 18680136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).