1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2-chlorobenzene

C13H16BrCl — CID 83151174

IUPAC1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2-chlorobenzene
SMILESCC(CBr)(Cc1ccccc1Cl)C1CC1
InChIInChI=1S/C13H16BrCl/c1-13(9-14,11-6-7-11)8-10-4-2-3-5-12(10)15/h2-5,11H,6-9H2,1H3
InChIKeyCLRMWFMHFMBCTK-UHFFFAOYSA-N
MW287.63 g/mol
LogP4.69
Rot. Bonds4

About 1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2-chlorobenzene

1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2-chlorobenzene (PubChem CID 83151174) has the molecular formula C13H16BrCl and a molecular weight of 287.63 g/mol. Its IUPAC name is 1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2-chlorobenzene.

Molecular Properties

Compound Name1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2-chlorobenzene
PubChem CID83151174
Molecular FormulaC13H16BrCl
Molecular Weight287.63 g/mol
Exact Mass286.01
IUPAC Name1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2-chlorobenzene
SMILESCC(CBr)(Cc1ccccc1Cl)C1CC1
InChIInChI=1S/C13H16BrCl/c1-13(9-14,11-6-7-11)8-10-4-2-3-5-12(10)15/h2-5,11H,6-9H2,1H3
InChIKeyCLRMWFMHFMBCTK-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.63
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2-chlorobenzene 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-(3-bromo-2-cyclopropyl-2-methylpropyl)-2-chloro-4-methylbenzene
CID 106870728
4-(3-bromo-2-cyclopropyl-2-methylpropyl)-3-chloropyridine
CID 83151291
1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-2-chlorobenzene
CID 79452940
2-cyclopropyl-3-(2,3-dichlorophenyl)-2-methylpropan-1-amine
CID 107309812
1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2,4-difluorobenzene
CID 83150796
3-[1-bromo-2-(bromomethyl)-3-(2-chlorophenyl)propan-2-yl]thiolane 1,1-dioxide
CID 79453868
N-[3-(3-chloro-2-fluorophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
CID 102859235
1-[[1-(bromomethyl)-4-tert-butylcyclohexyl]methyl]-2-chlorobenzene
CID 66048707
1-[1-bromo-2-(bromomethyl)-3-(2-chlorophenyl)propan-2-yl]-2-chlorobenzene
CID 79456158
N-[2-[(2-chlorophenyl)methyl]-2-methylbutyl]cyclopropanamine
CID 62718301
1-(3-bromo-2-cyclopropyl-2-methylpropyl)-4-(trifluoromethyl)benzene
CID 83150074
3-(2-bromophenyl)-2-cyclopropyl-2-methyl-N-propan-2-ylpropan-1-amine
CID 83159961

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2-chlorobenzene?
The IUPAC name of 1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2-chlorobenzene (CID 83151174) is 1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2-chlorobenzene.
What is the SMILES notation for 1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2-chlorobenzene?
The canonical SMILES for 1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2-chlorobenzene is CC(CBr)(Cc1ccccc1Cl)C1CC1.
What is the InChIKey of 1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2-chlorobenzene?
The InChIKey is CLRMWFMHFMBCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrCl/c1-13(9-14,11-6-7-11)8-10-4-2-3-5-12(10)15/h2-5,11H,6-9H2,1H3.
What are the key properties of 1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2-chlorobenzene?
1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2-chlorobenzene has a molecular weight of 287.63 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2-chlorobenzene is sourced from PubChem (CID 83151174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).