8-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-7-amine

C10H13BrN2 — CID 84702415

IUPAC8-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-7-amine
SMILESCC1NCCc2ccc(N)c(Br)c21
InChIInChI=1S/C10H13BrN2/c1-6-9-7(4-5-13-6)2-3-8(12)10(9)11/h2-3,6,13H,4-5,12H2,1H3
InChIKeyKNKLUURYSGBHJK-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.24
Rot. Bonds

About 8-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-7-amine

8-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-7-amine (PubChem CID 84702415) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is 8-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-7-amine.

Molecular Properties

Compound Name8-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-7-amine
PubChem CID84702415
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name8-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-7-amine
SMILESCC1NCCc2ccc(N)c(Br)c21
InChIInChI=1S/C10H13BrN2/c1-6-9-7(4-5-13-6)2-3-8(12)10(9)11/h2-3,6,13H,4-5,12H2,1H3
InChIKeyKNKLUURYSGBHJK-UHFFFAOYSA-N
XLogP2.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 84702416
(1S)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 96972246
7-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 84657899
7-chloro-8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 83370908
1,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 84655716
5-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 84664219
(1R)-6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 96980969
(1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid
CID 121229284
6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 84702414
1-methyl-1,2,3,4-tetrahydroisoquinoline-5,6-diamine
CID 84656202
(1R)-1-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline
CID 130715072
8-bromo-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 63272678

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-7-amine?
The IUPAC name of 8-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-7-amine (CID 84702415) is 8-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-7-amine.
What is the SMILES notation for 8-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-7-amine?
The canonical SMILES for 8-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-7-amine is CC1NCCc2ccc(N)c(Br)c21.
What is the InChIKey of 8-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-7-amine?
The InChIKey is KNKLUURYSGBHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c1-6-9-7(4-5-13-6)2-3-8(12)10(9)11/h2-3,6,13H,4-5,12H2,1H3.
What are the key properties of 8-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-7-amine?
8-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-7-amine has a molecular weight of 241.13 g/mol, XLogP of 2.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-7-amine is sourced from PubChem (CID 84702415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).