6-bromo-8-methyl-1,2,3,4-tetrahydroquinolin-3-amine;dihydrochloride

C10H15BrCl2N2 — CID 159832250

IUPAC6-bromo-8-methyl-1,2,3,4-tetrahydroquinolin-3-amine;dihydrochloride
SMILESCc1cc(Br)cc2c1NCC(N)C2.Cl.Cl
InChIInChI=1S/C10H13BrN2.2ClH/c1-6-2-8(11)3-7-4-9(12)5-13-10(6)7;;/h2-3,9,13H,4-5,12H2,1H3;2*1H
InChIKeySYOICWIRTRKMGN-UHFFFAOYSA-N
MW314.05 g/mol
LogP2.90
Rot. Bonds

About 6-bromo-8-methyl-1,2,3,4-tetrahydroquinolin-3-amine;dihydrochloride

6-bromo-8-methyl-1,2,3,4-tetrahydroquinolin-3-amine;dihydrochloride (PubChem CID 159832250) has the molecular formula C10H15BrCl2N2 and a molecular weight of 314.05 g/mol. Its IUPAC name is 6-bromo-8-methyl-1,2,3,4-tetrahydroquinolin-3-amine;dihydrochloride.

Molecular Properties

Compound Name6-bromo-8-methyl-1,2,3,4-tetrahydroquinolin-3-amine;dihydrochloride
PubChem CID159832250
Molecular FormulaC10H15BrCl2N2
Molecular Weight314.05 g/mol
Exact Mass311.98
IUPAC Name6-bromo-8-methyl-1,2,3,4-tetrahydroquinolin-3-amine;dihydrochloride
SMILESCc1cc(Br)cc2c1NCC(N)C2.Cl.Cl
InChIInChI=1S/C10H13BrN2.2ClH/c1-6-2-8(11)3-7-4-9(12)5-13-10(6)7;;/h2-3,9,13H,4-5,12H2,1H3;2*1H
InChIKeySYOICWIRTRKMGN-UHFFFAOYSA-N
XLogP2.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.05
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-bromo-8-methyl-1,2,3,4-tetrahydroquinolin-3-amine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-8-methyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 159832251
(2R)-6-bromo-2,8-dimethyl-1,2,3,4-tetrahydroquinoline
CID 125183689
5-bromo-2,3-dihydro-1H-inden-2-amine
CID 11298795
(3S)-3,8-dimethyl-1,2,3,4-tetrahydroquinoline
CID 42079847
5-bromo-3,3,7-trimethyl-1,2-dihydroindole
CID 79016325
(2R)-7-bromo-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 130865866
7-bromo-5-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 170905092
(2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-amine
CID 86326564
5-bromo-1,7-dimethyl-2,3-dihydro-1H-indene
CID 166534603
5-bromo-2-ethyl-7-methyl-2,3-dihydroinden-1-one
CID 68947911
(3S)-6-bromo-3-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 51893478
6-bromo-8-nitro-N-propyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 19919337

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methyl-1,2,3,4-tetrahydroquinolin-3-amine;dihydrochloride?
The IUPAC name of 6-bromo-8-methyl-1,2,3,4-tetrahydroquinolin-3-amine;dihydrochloride (CID 159832250) is 6-bromo-8-methyl-1,2,3,4-tetrahydroquinolin-3-amine;dihydrochloride.
What is the SMILES notation for 6-bromo-8-methyl-1,2,3,4-tetrahydroquinolin-3-amine;dihydrochloride?
The canonical SMILES for 6-bromo-8-methyl-1,2,3,4-tetrahydroquinolin-3-amine;dihydrochloride is Cc1cc(Br)cc2c1NCC(N)C2.Cl.Cl.
What is the InChIKey of 6-bromo-8-methyl-1,2,3,4-tetrahydroquinolin-3-amine;dihydrochloride?
The InChIKey is SYOICWIRTRKMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2.2ClH/c1-6-2-8(11)3-7-4-9(12)5-13-10(6)7;;/h2-3,9,13H,4-5,12H2,1H3;2*1H.
What are the key properties of 6-bromo-8-methyl-1,2,3,4-tetrahydroquinolin-3-amine;dihydrochloride?
6-bromo-8-methyl-1,2,3,4-tetrahydroquinolin-3-amine;dihydrochloride has a molecular weight of 314.05 g/mol, XLogP of 2.90, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methyl-1,2,3,4-tetrahydroquinolin-3-amine;dihydrochloride is sourced from PubChem (CID 159832250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).