7-bromo-5,8-dimethylisoquinolin-6-amine

C11H11BrN2 — CID 14218965

IUPAC7-bromo-5,8-dimethylisoquinolin-6-amine
SMILESCc1c(N)c(Br)c(C)c2cnccc12
InChIInChI=1S/C11H11BrN2/c1-6-9-5-14-4-3-8(9)7(2)11(13)10(6)12/h3-5H,13H2,1-2H3
InChIKeyVYHCUOMGDWGOPZ-UHFFFAOYSA-N
MW251.13 g/mol
LogP3.20
Rot. Bonds

About 7-bromo-5,8-dimethylisoquinolin-6-amine

7-bromo-5,8-dimethylisoquinolin-6-amine (PubChem CID 14218965) has the molecular formula C11H11BrN2 and a molecular weight of 251.13 g/mol. Its IUPAC name is 7-bromo-5,8-dimethylisoquinolin-6-amine.

Molecular Properties

Compound Name7-bromo-5,8-dimethylisoquinolin-6-amine
PubChem CID14218965
Molecular FormulaC11H11BrN2
Molecular Weight251.13 g/mol
Exact Mass250.01
IUPAC Name7-bromo-5,8-dimethylisoquinolin-6-amine
SMILESCc1c(N)c(Br)c(C)c2cnccc12
InChIInChI=1S/C11H11BrN2/c1-6-9-5-14-4-3-8(9)7(2)11(13)10(6)12/h3-5H,13H2,1-2H3
InChIKeyVYHCUOMGDWGOPZ-UHFFFAOYSA-N
XLogP3.20
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

8-Bromo-7-methylquinoline
CID 13419445
5-Bromoisoquinolin-6-amine
CID 44276622
7-Methylisoquinolin-8-amine
CID 44532010
5-Bromoisoquinolin-8-amine
CID 16218302
8-Bromo-7-(bromomethyl)quinoline
CID 14448366
5-Bromo-6-methylquinoline
CID 14117360
5-Bromo-3-methylisoquinoline
CID 21816168
8-Bromo-5-methylquinoline
CID 45097734
7-Bromo-8-methylquinoline
CID 45097742
5-Bromo-1-methylisoquinoline
CID 58093511
6-Bromo-1-methylisoquinoline
CID 74889121
5-Methyl-isoquinolin-6-ylamine
CID 44276963

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5,8-dimethylisoquinolin-6-amine?
The IUPAC name of 7-bromo-5,8-dimethylisoquinolin-6-amine (CID 14218965) is 7-bromo-5,8-dimethylisoquinolin-6-amine.
What is the SMILES notation for 7-bromo-5,8-dimethylisoquinolin-6-amine?
The canonical SMILES for 7-bromo-5,8-dimethylisoquinolin-6-amine is Cc1c(N)c(Br)c(C)c2cnccc12.
What is the InChIKey of 7-bromo-5,8-dimethylisoquinolin-6-amine?
The InChIKey is VYHCUOMGDWGOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2/c1-6-9-5-14-4-3-8(9)7(2)11(13)10(6)12/h3-5H,13H2,1-2H3.
What are the key properties of 7-bromo-5,8-dimethylisoquinolin-6-amine?
7-bromo-5,8-dimethylisoquinolin-6-amine has a molecular weight of 251.13 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5,8-dimethylisoquinolin-6-amine is sourced from PubChem (CID 14218965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).