4-(2-bromo-4-methylpentyl)-1,2-dimethylbenzene

C14H21Br — CID 63543426

IUPAC4-(2-bromo-4-methylpentyl)-1,2-dimethylbenzene
SMILESCc1ccc(CC(Br)CC(C)C)cc1C
InChIInChI=1S/C14H21Br/c1-10(2)7-14(15)9-13-6-5-11(3)12(4)8-13/h5-6,8,10,14H,7,9H2,1-4H3
InChIKeyRMNZAGDQBJTYDZ-UHFFFAOYSA-N
MW269.23 g/mol
LogP4.66
Rot. Bonds4

About 4-(2-bromo-4-methylpentyl)-1,2-dimethylbenzene

4-(2-bromo-4-methylpentyl)-1,2-dimethylbenzene (PubChem CID 63543426) has the molecular formula C14H21Br and a molecular weight of 269.23 g/mol. Its IUPAC name is 4-(2-bromo-4-methylpentyl)-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-(2-bromo-4-methylpentyl)-1,2-dimethylbenzene
PubChem CID63543426
Molecular FormulaC14H21Br
Molecular Weight269.23 g/mol
Exact Mass268.08
IUPAC Name4-(2-bromo-4-methylpentyl)-1,2-dimethylbenzene
SMILESCc1ccc(CC(Br)CC(C)C)cc1C
InChIInChI=1S/C14H21Br/c1-10(2)7-14(15)9-13-6-5-11(3)12(4)8-13/h5-6,8,10,14H,7,9H2,1-4H3
InChIKeyRMNZAGDQBJTYDZ-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-(2-bromo-4-methylpentyl)-1,2-dimethylbenzene 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

4-(2-bromobutyl)-1,2-dimethylbenzene
CID 63542735
1,2-dimethyl-4-(2-methylpropyl)benzene;methane
CID 143912284
4-(2-bromo-4-methylpentyl)-1,2-dimethoxybenzene
CID 55148976
4-(2-bromo-3-methylbutyl)-1,2-dimethylbenzene
CID 63542558
4-[2-bromo-4-(4-methoxyphenyl)butyl]-1,2-dimethylbenzene
CID 63544299
4-(2-chloro-3-methylbutyl)-1,2-dimethylbenzene
CID 63520209
2-[2-bromo-3-(3,4-dimethylphenyl)propyl]-1H-imidazole
CID 62539146
4-(2-ethylbutyl)-1,2-dimethylbenzene
CID 91377891
3-(3,4-dimethylphenyl)-2-methylpropanal
CID 64665590
4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene
CID 63437552
4-(2-bromo-2-cyclobutylethyl)-1,2-dimethylbenzene
CID 63543949
3-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-4-methylthiophene
CID 79808976

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methylpentyl)-1,2-dimethylbenzene?
The IUPAC name of 4-(2-bromo-4-methylpentyl)-1,2-dimethylbenzene (CID 63543426) is 4-(2-bromo-4-methylpentyl)-1,2-dimethylbenzene.
What is the SMILES notation for 4-(2-bromo-4-methylpentyl)-1,2-dimethylbenzene?
The canonical SMILES for 4-(2-bromo-4-methylpentyl)-1,2-dimethylbenzene is Cc1ccc(CC(Br)CC(C)C)cc1C.
What is the InChIKey of 4-(2-bromo-4-methylpentyl)-1,2-dimethylbenzene?
The InChIKey is RMNZAGDQBJTYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Br/c1-10(2)7-14(15)9-13-6-5-11(3)12(4)8-13/h5-6,8,10,14H,7,9H2,1-4H3.
What are the key properties of 4-(2-bromo-4-methylpentyl)-1,2-dimethylbenzene?
4-(2-bromo-4-methylpentyl)-1,2-dimethylbenzene has a molecular weight of 269.23 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methylpentyl)-1,2-dimethylbenzene is sourced from PubChem (CID 63543426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).