[(1S,2R)-2-bromo-1-methylcyclopropyl]methylbenzene

C11H13Br — CID 125475475

IUPAC[(1S,2R)-2-bromo-1-methylcyclopropyl]methylbenzene
SMILESC[C@]1(Cc2ccccc2)C[C@H]1Br
InChIInChI=1S/C11H13Br/c1-11(8-10(11)12)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-,11+/m1/s1
InChIKeyBXKRIRFZGNSHII-MNOVXSKESA-N
MW225.13 g/mol
LogP3.40
Rot. Bonds2

About [(1S,2R)-2-bromo-1-methylcyclopropyl]methylbenzene

[(1S,2R)-2-bromo-1-methylcyclopropyl]methylbenzene (PubChem CID 125475475) has the molecular formula C11H13Br and a molecular weight of 225.13 g/mol. Its IUPAC name is [(1S,2R)-2-bromo-1-methylcyclopropyl]methylbenzene.

Molecular Properties

Compound Name[(1S,2R)-2-bromo-1-methylcyclopropyl]methylbenzene
PubChem CID125475475
Molecular FormulaC11H13Br
Molecular Weight225.13 g/mol
Exact Mass224.02
IUPAC Name[(1S,2R)-2-bromo-1-methylcyclopropyl]methylbenzene
SMILESC[C@]1(Cc2ccccc2)C[C@H]1Br
InChIInChI=1S/C11H13Br/c1-11(8-10(11)12)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-,11+/m1/s1
InChIKeyBXKRIRFZGNSHII-MNOVXSKESA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.13
LogP ≤ 53.40
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

[(1S,2S)-2-bromo-1-methylcyclopropyl]methylbenzene
CID 125475476
[(1R,2S)-1-methyl-2-propan-2-ylcyclopropyl]methylbenzene
CID 102577141
3-benzyl-3-methyloxiran-2-amine
CID 130712281
7-benzyl-4,4,5-trimethyltricyclo[3.2.1.02,7]octan-6-one
CID 101019735
3-benzyl-N,3-dimethylcyclopentan-1-amine
CID 116538980
(2-bromo-1-methylcyclopropyl)methanol
CID 12502936
1,2-dibenzyl-4-methylcyclohexane-1,4-diamine
CID 137351962
1-benzyl-3-bromo-2,2-dimethylpyrrolidine
CID 130979463
1-benzyl-3-methyl-2,4-dioxabicyclo[1.1.0]butane
CID 141419517
5-benzyl-2-bromo-2-methylcyclopentan-1-one
CID 163734589
3-benzyl-3-methyl-6,10-dithiaspiro[4.5]decan-4-ol
CID 589285
2-benzyl-4,4-dimethyloxolane
CID 102308399

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-bromo-1-methylcyclopropyl]methylbenzene?
The IUPAC name of [(1S,2R)-2-bromo-1-methylcyclopropyl]methylbenzene (CID 125475475) is [(1S,2R)-2-bromo-1-methylcyclopropyl]methylbenzene.
What is the SMILES notation for [(1S,2R)-2-bromo-1-methylcyclopropyl]methylbenzene?
The canonical SMILES for [(1S,2R)-2-bromo-1-methylcyclopropyl]methylbenzene is C[C@]1(Cc2ccccc2)C[C@H]1Br.
What is the InChIKey of [(1S,2R)-2-bromo-1-methylcyclopropyl]methylbenzene?
The InChIKey is BXKRIRFZGNSHII-MNOVXSKESA-N. The full InChI is InChI=1S/C11H13Br/c1-11(8-10(11)12)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-,11+/m1/s1.
What are the key properties of [(1S,2R)-2-bromo-1-methylcyclopropyl]methylbenzene?
[(1S,2R)-2-bromo-1-methylcyclopropyl]methylbenzene has a molecular weight of 225.13 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-bromo-1-methylcyclopropyl]methylbenzene is sourced from PubChem (CID 125475475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).