6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine

C10H13BrN2 — CID 84702414

IUPAC6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCC1NCCc2c1ccc(Br)c2N
InChIInChI=1S/C10H13BrN2/c1-6-7-2-3-9(11)10(12)8(7)4-5-13-6/h2-3,6,13H,4-5,12H2,1H3
InChIKeyRDOOMFYFVQAESH-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.24
Rot. Bonds

About 6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine

6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine (PubChem CID 84702414) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is 6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine.

Molecular Properties

Compound Name6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
PubChem CID84702414
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCC1NCCc2c1ccc(Br)c2N
InChIInChI=1S/C10H13BrN2/c1-6-7-2-3-9(11)10(12)8(7)4-5-13-6/h2-3,6,13H,4-5,12H2,1H3
InChIKeyRDOOMFYFVQAESH-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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Launch Full Analysis

Related Compounds

1-methyl-1,2,3,4-tetrahydroisoquinoline-5,6-diamine
CID 84656202
7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 84702416
8-bromo-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 63272678
(1R)-6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 96980969
(1S)-5-ethyl-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 94423264
(1S)-7-bromo-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 94418031
6-chloro-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 167716546
7-bromo-5-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 167735922
6-fluoro-5-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 83377554
(1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
CID 130607773
1-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
CID 83963307
(1R)-1-methyl-5-nitro-1,2,3,4-tetrahydroisoquinoline
CID 130704024

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine?
The IUPAC name of 6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine (CID 84702414) is 6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine.
What is the SMILES notation for 6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine?
The canonical SMILES for 6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine is CC1NCCc2c1ccc(Br)c2N.
What is the InChIKey of 6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine?
The InChIKey is RDOOMFYFVQAESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c1-6-7-2-3-9(11)10(12)8(7)4-5-13-6/h2-3,6,13H,4-5,12H2,1H3.
What are the key properties of 6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine?
6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-5-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 6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine is sourced from PubChem (CID 84702414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).