1-bromo-2-[(3,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene

C19H21Br — CID 63473353

IUPAC1-bromo-2-[(3,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESCc1cc(C)cc(CC2CCc3ccccc3C2Br)c1
InChIInChI=1S/C19H21Br/c1-13-9-14(2)11-15(10-13)12-17-8-7-16-5-3-4-6-18(16)19(17)20/h3-6,9-11,17,19H,7-8,12H2,1-2H3
InChIKeyYLXYHHKZUPPKPV-UHFFFAOYSA-N
MW329.28 g/mol
LogP5.54
Rot. Bonds2

About 1-bromo-2-[(3,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene

1-bromo-2-[(3,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 63473353) has the molecular formula C19H21Br and a molecular weight of 329.28 g/mol. Its IUPAC name is 1-bromo-2-[(3,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-bromo-2-[(3,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID63473353
Molecular FormulaC19H21Br
Molecular Weight329.28 g/mol
Exact Mass328.08
IUPAC Name1-bromo-2-[(3,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESCc1cc(C)cc(CC2CCc3ccccc3C2Br)c1
InChIInChI=1S/C19H21Br/c1-13-9-14(2)11-15(10-13)12-17-8-7-16-5-3-4-6-18(16)19(17)20/h3-6,9-11,17,19H,7-8,12H2,1-2H3
InChIKeyYLXYHHKZUPPKPV-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.28
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-bromo-2-[(3,5-dimethylphenyl)methyl]-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

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(3,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-bromo-2-[(3,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene (CID 63473353) is 1-bromo-2-[(3,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-bromo-2-[(3,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-bromo-2-[(3,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene is Cc1cc(C)cc(CC2CCc3ccccc3C2Br)c1.
What is the InChIKey of 1-bromo-2-[(3,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is YLXYHHKZUPPKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Br/c1-13-9-14(2)11-15(10-13)12-17-8-7-16-5-3-4-6-18(16)19(17)20/h3-6,9-11,17,19H,7-8,12H2,1-2H3.
What are the key properties of 1-bromo-2-[(3,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
1-bromo-2-[(3,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 329.28 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(3,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 63473353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).