[2-(1-bromo-2-methylpropyl)cyclohexyl]benzene

C16H23Br — CID 105403875

IUPAC[2-(1-bromo-2-methylpropyl)cyclohexyl]benzene
SMILESCC(C)C(Br)C1CCCCC1c1ccccc1
InChIInChI=1S/C16H23Br/c1-12(2)16(17)15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-5,8-9,12,14-16H,6-7,10-11H2,1-2H3
InChIKeyXWIMJFNFDQHKHH-UHFFFAOYSA-N
MW295.26 g/mol
LogP5.38
Rot. Bonds3

About [2-(1-bromo-2-methylpropyl)cyclohexyl]benzene

[2-(1-bromo-2-methylpropyl)cyclohexyl]benzene (PubChem CID 105403875) has the molecular formula C16H23Br and a molecular weight of 295.26 g/mol. Its IUPAC name is [2-(1-bromo-2-methylpropyl)cyclohexyl]benzene.

Molecular Properties

Compound Name[2-(1-bromo-2-methylpropyl)cyclohexyl]benzene
PubChem CID105403875
Molecular FormulaC16H23Br
Molecular Weight295.26 g/mol
Exact Mass294.10
IUPAC Name[2-(1-bromo-2-methylpropyl)cyclohexyl]benzene
SMILESCC(C)C(Br)C1CCCCC1c1ccccc1
InChIInChI=1S/C16H23Br/c1-12(2)16(17)15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-5,8-9,12,14-16H,6-7,10-11H2,1-2H3
InChIKeyXWIMJFNFDQHKHH-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.26
LogP ≤ 55.38
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

N,N-dimethyl-1-(2-phenylcyclohexyl)ethanamine
CID 70492247
2-(2-phenylcycloheptyl)propan-1-amine
CID 82242886
1-(2-phenylcyclohexyl)propan-1-ol
CID 105403860
1-bromo-2-phenylcycloheptane
CID 63510810
(2-methylcyclopentyl)benzene
CID 12600454
2-methylsulfonyl-N-(2-phenylcyclohexyl)propanamide
CID 75420632
N,N-dimethyl-2-phenylcyclohexan-1-amine
CID 14946175
N-[(1S)-1-cyclopentylethyl]-3-methyl-2-phenylbutan-1-amine
CID 107876302
trans-(1S,2R)-2-phenylcyclohexan-1-amine;hydrochloride
CID 21128019
CID 135048454
CID 135048454
(1S,4aR,8R,8aR)-8-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
CID 10609515
carbon dioxide;[(1S,2S)-2-methylcyclohexyl]benzene
CID 123742009

Frequently Asked Questions

What is the IUPAC name of [2-(1-bromo-2-methylpropyl)cyclohexyl]benzene?
The IUPAC name of [2-(1-bromo-2-methylpropyl)cyclohexyl]benzene (CID 105403875) is [2-(1-bromo-2-methylpropyl)cyclohexyl]benzene.
What is the SMILES notation for [2-(1-bromo-2-methylpropyl)cyclohexyl]benzene?
The canonical SMILES for [2-(1-bromo-2-methylpropyl)cyclohexyl]benzene is CC(C)C(Br)C1CCCCC1c1ccccc1.
What is the InChIKey of [2-(1-bromo-2-methylpropyl)cyclohexyl]benzene?
The InChIKey is XWIMJFNFDQHKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Br/c1-12(2)16(17)15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-5,8-9,12,14-16H,6-7,10-11H2,1-2H3.
What are the key properties of [2-(1-bromo-2-methylpropyl)cyclohexyl]benzene?
[2-(1-bromo-2-methylpropyl)cyclohexyl]benzene has a molecular weight of 295.26 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-bromo-2-methylpropyl)cyclohexyl]benzene is sourced from PubChem (CID 105403875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).