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

C10H12BrN — CID 53408381

IUPAC6-bromo-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2cc(Br)ccc2C1
InChIInChI=1S/C10H12BrN/c1-12-5-4-8-6-10(11)3-2-9(8)7-12/h2-3,6H,4-5,7H2,1H3
InChIKeyXBWCPPFVDGLVMN-UHFFFAOYSA-N
MW226.12 g/mol
LogP2.44
Rot. Bonds

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

6-bromo-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 53408381) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is 6-bromo-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6-bromo-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID53408381
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name6-bromo-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2cc(Br)ccc2C1
InChIInChI=1S/C10H12BrN/c1-12-5-4-8-6-10(11)3-2-9(8)7-12/h2-3,6H,4-5,7H2,1H3
InChIKeyXBWCPPFVDGLVMN-UHFFFAOYSA-N
XLogP2.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6-bromo-2-methyl-3,4-dihydro-1H-isoquinoline (CID 53408381) is 6-bromo-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6-bromo-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6-bromo-2-methyl-3,4-dihydro-1H-isoquinoline is CN1CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is XBWCPPFVDGLVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN/c1-12-5-4-8-6-10(11)3-2-9(8)7-12/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 6-bromo-2-methyl-3,4-dihydro-1H-isoquinoline?
6-bromo-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 226.12 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 53408381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).