1-[2-(bromomethyl)-2,3-dimethylbutyl]naphthalene

C17H21Br — CID 83153298

IUPAC1-[2-(bromomethyl)-2,3-dimethylbutyl]naphthalene
SMILESCC(C)C(C)(CBr)Cc1cccc2ccccc12
InChIInChI=1S/C17H21Br/c1-13(2)17(3,12-18)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,13H,11-12H2,1-3H3
InChIKeyLYBHYCSZASTPDL-UHFFFAOYSA-N
MW305.26 g/mol
LogP5.44
Rot. Bonds4

About 1-[2-(bromomethyl)-2,3-dimethylbutyl]naphthalene

1-[2-(bromomethyl)-2,3-dimethylbutyl]naphthalene (PubChem CID 83153298) has the molecular formula C17H21Br and a molecular weight of 305.26 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-2,3-dimethylbutyl]naphthalene.

Molecular Properties

Compound Name1-[2-(bromomethyl)-2,3-dimethylbutyl]naphthalene
PubChem CID83153298
Molecular FormulaC17H21Br
Molecular Weight305.26 g/mol
Exact Mass304.08
IUPAC Name1-[2-(bromomethyl)-2,3-dimethylbutyl]naphthalene
SMILESCC(C)C(C)(CBr)Cc1cccc2ccccc12
InChIInChI=1S/C17H21Br/c1-13(2)17(3,12-18)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,13H,11-12H2,1-3H3
InChIKeyLYBHYCSZASTPDL-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.26
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[2-(bromomethyl)-2,3-dimethylbutyl]naphthalene 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

1-(2,2-dimethylpropyl)naphthalene;methane
CID 145304916
1-(2-fluoro-2-methylpropyl)naphthalene
CID 118859745
1-(2-methyl-2-phenylpropyl)naphthalene
CID 86035126
1-(2-bromoethyl)naphthalene;hydrofluoride
CID 174588408
2-[2-(bromomethyl)-2,3-dimethylbutyl]-4-chloro-1-fluorobenzene
CID 103051402
2,2-dimethyl-3-naphthalen-1-ylpropanamide
CID 90911277
2-[2-(bromomethyl)-2,3-dimethylbutyl]-1,3-benzothiazole
CID 104632497
2-methyl-2-(naphthalen-1-ylmethyl)-N-propan-2-ylpentan-1-amine
CID 63507867
4-[2-(bromomethyl)-2,3-dimethylbutyl]-3-chloropyridine
CID 83152349
2-methylpropan-2-amine;naphthalen-1-ylmethanamine
CID 142317452
1-(2-chloropropyl)naphthalene
CID 12809422
5,5-dimethyl-1-naphthalen-1-ylhexan-2-ol
CID 105091563

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-2,3-dimethylbutyl]naphthalene?
The IUPAC name of 1-[2-(bromomethyl)-2,3-dimethylbutyl]naphthalene (CID 83153298) is 1-[2-(bromomethyl)-2,3-dimethylbutyl]naphthalene.
What is the SMILES notation for 1-[2-(bromomethyl)-2,3-dimethylbutyl]naphthalene?
The canonical SMILES for 1-[2-(bromomethyl)-2,3-dimethylbutyl]naphthalene is CC(C)C(C)(CBr)Cc1cccc2ccccc12.
What is the InChIKey of 1-[2-(bromomethyl)-2,3-dimethylbutyl]naphthalene?
The InChIKey is LYBHYCSZASTPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Br/c1-13(2)17(3,12-18)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,13H,11-12H2,1-3H3.
What are the key properties of 1-[2-(bromomethyl)-2,3-dimethylbutyl]naphthalene?
1-[2-(bromomethyl)-2,3-dimethylbutyl]naphthalene has a molecular weight of 305.26 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-2,3-dimethylbutyl]naphthalene is sourced from PubChem (CID 83153298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).