1-(1-bromo-2-phenylethyl)-2-methylbenzene

C15H15Br — CID 63529712

IUPAC1-(1-bromo-2-phenylethyl)-2-methylbenzene
SMILESCc1ccccc1C(Br)Cc1ccccc1
InChIInChI=1S/C15H15Br/c1-12-7-5-6-10-14(12)15(16)11-13-8-3-2-4-9-13/h2-10,15H,11H2,1H3
InChIKeyGJIXIIOMFJORRI-UHFFFAOYSA-N
MW275.19 g/mol
LogP4.67
Rot. Bonds3

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

1-(1-bromo-2-phenylethyl)-2-methylbenzene (PubChem CID 63529712) has the molecular formula C15H15Br and a molecular weight of 275.19 g/mol. Its IUPAC name is 1-(1-bromo-2-phenylethyl)-2-methylbenzene.

Molecular Properties

Compound Name1-(1-bromo-2-phenylethyl)-2-methylbenzene
PubChem CID63529712
Molecular FormulaC15H15Br
Molecular Weight275.19 g/mol
Exact Mass274.04
IUPAC Name1-(1-bromo-2-phenylethyl)-2-methylbenzene
SMILESCc1ccccc1C(Br)Cc1ccccc1
InChIInChI=1S/C15H15Br/c1-12-7-5-6-10-14(12)15(16)11-13-8-3-2-4-9-13/h2-10,15H,11H2,1H3
InChIKeyGJIXIIOMFJORRI-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 54.67
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

1-(1-bromo-2-phenylethyl)-2-methoxybenzene
CID 63017425
1-methyl-2-(1-phenylpropan-2-yl)benzene
CID 22356709
1-(1-bromo-2-phenylethyl)-2-methylsulfanylbenzene
CID 79206101
1-(1-bromo-3-phenylpropan-2-yl)-2-methylbenzene
CID 79418449
1-(1-bromo-2-phenylethyl)-2-iodobenzene
CID 63529217
N-methyl-1-(2-methylphenyl)-2-phenylethanamine
CID 60819180
1-[1-bromo-2-(4-chlorophenyl)ethyl]-2,3-dimethylbenzene
CID 63542441
N-[(1S)-1-(2-methylphenyl)ethyl]-1-phenylpropan-2-amine
CID 81375017
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-iodo-3-methylbenzene
CID 114029620
4-[2-bromo-2-(2-methoxyphenyl)ethyl]-1,2-dimethylbenzene
CID 63543083
1-[bromo(phenyl)methyl]-2-methylbenzene
CID 12875470
1-(1-bromononyl)-2-methylbenzene
CID 174984937

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-2-phenylethyl)-2-methylbenzene?
The IUPAC name of 1-(1-bromo-2-phenylethyl)-2-methylbenzene (CID 63529712) is 1-(1-bromo-2-phenylethyl)-2-methylbenzene.
What is the SMILES notation for 1-(1-bromo-2-phenylethyl)-2-methylbenzene?
The canonical SMILES for 1-(1-bromo-2-phenylethyl)-2-methylbenzene is Cc1ccccc1C(Br)Cc1ccccc1.
What is the InChIKey of 1-(1-bromo-2-phenylethyl)-2-methylbenzene?
The InChIKey is GJIXIIOMFJORRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br/c1-12-7-5-6-10-14(12)15(16)11-13-8-3-2-4-9-13/h2-10,15H,11H2,1H3.
What are the key properties of 1-(1-bromo-2-phenylethyl)-2-methylbenzene?
1-(1-bromo-2-phenylethyl)-2-methylbenzene has a molecular weight of 275.19 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-2-phenylethyl)-2-methylbenzene is sourced from PubChem (CID 63529712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).