6-bromo-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene

C12H15Br — CID 162045632

IUPAC6-bromo-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
SMILESCC1Cc2ccc(Br)cc2CC1C
InChIInChI=1S/C12H15Br/c1-8-5-10-3-4-12(13)7-11(10)6-9(8)2/h3-4,7-9H,5-6H2,1-2H3
InChIKeyLLSVGDDKVGPWNH-UHFFFAOYSA-N
MW239.16 g/mol
LogP3.82
Rot. Bonds

About 6-bromo-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene

6-bromo-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 162045632) has the molecular formula C12H15Br and a molecular weight of 239.16 g/mol. Its IUPAC name is 6-bromo-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-bromo-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
PubChem CID162045632
Molecular FormulaC12H15Br
Molecular Weight239.16 g/mol
Exact Mass238.04
IUPAC Name6-bromo-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
SMILESCC1Cc2ccc(Br)cc2CC1C
InChIInChI=1S/C12H15Br/c1-8-5-10-3-4-12(13)7-11(10)6-9(8)2/h3-4,7-9H,5-6H2,1-2H3
InChIKeyLLSVGDDKVGPWNH-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-bromo-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene 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

(2S,3S)-6-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 147048026
5-bromo-2,3-dihydro-1H-inden-2-amine
CID 11298795
6-bromo-1-chloro-2-methyl-2,3-dihydro-1H-indene
CID 79725428
(3S)-6-bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 155921000
N-(5-bromo-2,3-dihydro-1H-inden-2-yl)methanesulfonamide
CID 70291277
5-bromo-2,3-dihydro-1H-indene-2-carboxamide
CID 77491392
5-bromo-2-[4-(4-propylcyclohexyl)cyclohexyl]-2,3-dihydro-1H-indene
CID 67818490
3-bromobicyclo[4.2.0]octa-1(6),2,4-triene
CID 10866980
(2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 93279299
5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 13301601
(2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-amine
CID 86326564
7-bromo-1,2,3,4-tetrahydronaphthalen-2-ol
CID 105484321

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-bromo-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene (CID 162045632) is 6-bromo-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-bromo-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-bromo-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene is CC1Cc2ccc(Br)cc2CC1C.
What is the InChIKey of 6-bromo-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is LLSVGDDKVGPWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br/c1-8-5-10-3-4-12(13)7-11(10)6-9(8)2/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of 6-bromo-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene?
6-bromo-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 239.16 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 162045632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).