1-(2-bromo-1-methylcyclopropyl)-2-methylbenzene

C11H13Br — CID 102395819

IUPAC1-(2-bromo-1-methylcyclopropyl)-2-methylbenzene
SMILESCc1ccccc1C1(C)CC1Br
InChIInChI=1S/C11H13Br/c1-8-5-3-4-6-9(8)11(2)7-10(11)12/h3-6,10H,7H2,1-2H3
InChIKeyZSADDLAINVDWNO-UHFFFAOYSA-N
MW225.13 g/mol
LogP3.42
Rot. Bonds1

About 1-(2-bromo-1-methylcyclopropyl)-2-methylbenzene

1-(2-bromo-1-methylcyclopropyl)-2-methylbenzene (PubChem CID 102395819) has the molecular formula C11H13Br and a molecular weight of 225.13 g/mol. Its IUPAC name is 1-(2-bromo-1-methylcyclopropyl)-2-methylbenzene.

Molecular Properties

Compound Name1-(2-bromo-1-methylcyclopropyl)-2-methylbenzene
PubChem CID102395819
Molecular FormulaC11H13Br
Molecular Weight225.13 g/mol
Exact Mass224.02
IUPAC Name1-(2-bromo-1-methylcyclopropyl)-2-methylbenzene
SMILESCc1ccccc1C1(C)CC1Br
InChIInChI=1S/C11H13Br/c1-8-5-3-4-6-9(8)11(2)7-10(11)12/h3-6,10H,7H2,1-2H3
InChIKeyZSADDLAINVDWNO-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.13
LogP ≤ 53.42
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-methyl-2-(2-methylphenyl)cyclopropyl]methanamine
CID 54775976
N-methyl-1-[2-methyl-2-(2-methylphenyl)cyclopropyl]methanamine
CID 54775982
2,3-dimethyl-3-(2-methylphenyl)pyrrolidine
CID 62353384
2-methyl-1-(2-methylphenyl)cyclopropane-1-carboxylic acid
CID 83483787
(2S,3R)-1,2,3-trimethyl-2-(2-methylphenyl)aziridine
CID 25150644
CID 175377072
CID 175377072
9-methyl-9-(2-methylphenyl)fluorene
CID 14387659
methyl 2-methyl-1-(2-methylphenyl)cyclopropane-1-carboxylate
CID 116843020
1-(2-methylphenyl)-5-azabicyclo[2.1.1]hexane
CID 115059472
2,2-bis(2-methylphenyl)adamantane
CID 173019574
(5S)-3-[(1R,2S)-2-methyl-2-(2-methylphenyl)cyclopropyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
CID 100677976
1-methyl-1-(2-methylphenyl)-3,4-dihydronaphthalen-2-one
CID 164527986

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-1-methylcyclopropyl)-2-methylbenzene?
The IUPAC name of 1-(2-bromo-1-methylcyclopropyl)-2-methylbenzene (CID 102395819) is 1-(2-bromo-1-methylcyclopropyl)-2-methylbenzene.
What is the SMILES notation for 1-(2-bromo-1-methylcyclopropyl)-2-methylbenzene?
The canonical SMILES for 1-(2-bromo-1-methylcyclopropyl)-2-methylbenzene is Cc1ccccc1C1(C)CC1Br.
What is the InChIKey of 1-(2-bromo-1-methylcyclopropyl)-2-methylbenzene?
The InChIKey is ZSADDLAINVDWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br/c1-8-5-3-4-6-9(8)11(2)7-10(11)12/h3-6,10H,7H2,1-2H3.
What are the key properties of 1-(2-bromo-1-methylcyclopropyl)-2-methylbenzene?
1-(2-bromo-1-methylcyclopropyl)-2-methylbenzene has a molecular weight of 225.13 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-1-methylcyclopropyl)-2-methylbenzene is sourced from PubChem (CID 102395819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).