2-(3-bromo-2-methylpentyl)-1,4-dimethylbenzene

C14H21Br — CID 63559949

IUPAC2-(3-bromo-2-methylpentyl)-1,4-dimethylbenzene
SMILESCCC(Br)C(C)Cc1cc(C)ccc1C
InChIInChI=1S/C14H21Br/c1-5-14(15)12(4)9-13-8-10(2)6-7-11(13)3/h6-8,12,14H,5,9H2,1-4H3
InChIKeyGZCAQBBTEDTTJG-UHFFFAOYSA-N
MW269.23 g/mol
LogP4.66
Rot. Bonds4

About 2-(3-bromo-2-methylpentyl)-1,4-dimethylbenzene

2-(3-bromo-2-methylpentyl)-1,4-dimethylbenzene (PubChem CID 63559949) has the molecular formula C14H21Br and a molecular weight of 269.23 g/mol. Its IUPAC name is 2-(3-bromo-2-methylpentyl)-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-(3-bromo-2-methylpentyl)-1,4-dimethylbenzene
PubChem CID63559949
Molecular FormulaC14H21Br
Molecular Weight269.23 g/mol
Exact Mass268.08
IUPAC Name2-(3-bromo-2-methylpentyl)-1,4-dimethylbenzene
SMILESCCC(Br)C(C)Cc1cc(C)ccc1C
InChIInChI=1S/C14H21Br/c1-5-14(15)12(4)9-13-8-10(2)6-7-11(13)3/h6-8,12,14H,5,9H2,1-4H3
InChIKeyGZCAQBBTEDTTJG-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'}

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Related Compounds

2-[1-(2,5-dimethylphenyl)propan-2-yl]propane-1,3-diamine
CID 83928106
(2R)-1-(2,5-dimethylphenyl)butan-2-ol
CID 94208295
2-bromo-1-(2,5-dimethylphenyl)-4-methylpentan-3-one
CID 62394273
4-(2,5-dimethylphenyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 81016684
2-(2-bromodecyl)-1,4-dimethylbenzene
CID 65427966
1-(2,5-dimethylphenyl)-3-ethylpentan-2-ol
CID 63016045
2-(bromomethyl)-1,4-dimethylbenzene;methane
CID 178158630
1,4-dimethyl-2-(2-methylbut-3-enyl)benzene
CID 83928161
2-[2-bromo-2-(3-methylphenyl)ethyl]-1,4-dimethylbenzene
CID 63531076
2-[2-(4-bromophenyl)-2-chloroethyl]-1,4-dimethylbenzene
CID 55219227
(2S)-N-[(2,5-dimethylphenyl)methyl]butan-2-amine
CID 93116797
1-(2,5-dimethylphenyl)-4-methylpentan-2-amine
CID 61482046

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylpentyl)-1,4-dimethylbenzene?
The IUPAC name of 2-(3-bromo-2-methylpentyl)-1,4-dimethylbenzene (CID 63559949) is 2-(3-bromo-2-methylpentyl)-1,4-dimethylbenzene.
What is the SMILES notation for 2-(3-bromo-2-methylpentyl)-1,4-dimethylbenzene?
The canonical SMILES for 2-(3-bromo-2-methylpentyl)-1,4-dimethylbenzene is CCC(Br)C(C)Cc1cc(C)ccc1C.
What is the InChIKey of 2-(3-bromo-2-methylpentyl)-1,4-dimethylbenzene?
The InChIKey is GZCAQBBTEDTTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Br/c1-5-14(15)12(4)9-13-8-10(2)6-7-11(13)3/h6-8,12,14H,5,9H2,1-4H3.
What are the key properties of 2-(3-bromo-2-methylpentyl)-1,4-dimethylbenzene?
2-(3-bromo-2-methylpentyl)-1,4-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 2-(3-bromo-2-methylpentyl)-1,4-dimethylbenzene is sourced from PubChem (CID 63559949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).