1-(1-bromo-2-cyclopropylethyl)-4-(2-methylpropyl)benzene

C15H21Br — CID 63435610

IUPAC1-(1-bromo-2-cyclopropylethyl)-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(C(Br)CC2CC2)cc1
InChIInChI=1S/C15H21Br/c1-11(2)9-12-5-7-14(8-6-12)15(16)10-13-3-4-13/h5-8,11,13,15H,3-4,9-10H2,1-2H3
InChIKeyBWHOUXURKUODGJ-UHFFFAOYSA-N
MW281.24 g/mol
LogP5.12
Rot. Bonds5

About 1-(1-bromo-2-cyclopropylethyl)-4-(2-methylpropyl)benzene

1-(1-bromo-2-cyclopropylethyl)-4-(2-methylpropyl)benzene (PubChem CID 63435610) has the molecular formula C15H21Br and a molecular weight of 281.24 g/mol. Its IUPAC name is 1-(1-bromo-2-cyclopropylethyl)-4-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-(1-bromo-2-cyclopropylethyl)-4-(2-methylpropyl)benzene
PubChem CID63435610
Molecular FormulaC15H21Br
Molecular Weight281.24 g/mol
Exact Mass280.08
IUPAC Name1-(1-bromo-2-cyclopropylethyl)-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(C(Br)CC2CC2)cc1
InChIInChI=1S/C15H21Br/c1-11(2)9-12-5-7-14(8-6-12)15(16)10-13-3-4-13/h5-8,11,13,15H,3-4,9-10H2,1-2H3
InChIKeyBWHOUXURKUODGJ-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.24
LogP ≤ 55.12
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-cyclobutylethyl)-4-(2-methylpropyl)benzene
CID 103165712
[2-bromo-2-(4-ethylphenyl)ethyl]cycloheptane
CID 114458721
1-(1-bromo-2-cyclopropylethyl)-4-chlorobenzene
CID 63437413
[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]cycloheptane
CID 114458629
cyclopropyl-[4-(2-methylpropyl)phenyl]methanamine
CID 4579734
4-[amino-[4-(2-methylpropyl)phenyl]methyl]cyclohexan-1-amine
CID 116937134
cyclobutyl-[4-(2-methylpropyl)phenyl]methanol
CID 61099131
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
[2-bromo-2-(4-tert-butylphenyl)ethyl]cycloheptane
CID 114458720
1-(1-bromo-2-cyclobutylethyl)-4-methoxybenzene
CID 103165731
1-[(2S)-1-bromopropan-2-yl]-4-(2-methylpropyl)benzene
CID 11043315
1-[bromo(phenyl)methyl]-4-(2-methylpropyl)benzene
CID 19010746

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-2-cyclopropylethyl)-4-(2-methylpropyl)benzene?
The IUPAC name of 1-(1-bromo-2-cyclopropylethyl)-4-(2-methylpropyl)benzene (CID 63435610) is 1-(1-bromo-2-cyclopropylethyl)-4-(2-methylpropyl)benzene.
What is the SMILES notation for 1-(1-bromo-2-cyclopropylethyl)-4-(2-methylpropyl)benzene?
The canonical SMILES for 1-(1-bromo-2-cyclopropylethyl)-4-(2-methylpropyl)benzene is CC(C)Cc1ccc(C(Br)CC2CC2)cc1.
What is the InChIKey of 1-(1-bromo-2-cyclopropylethyl)-4-(2-methylpropyl)benzene?
The InChIKey is BWHOUXURKUODGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br/c1-11(2)9-12-5-7-14(8-6-12)15(16)10-13-3-4-13/h5-8,11,13,15H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(1-bromo-2-cyclopropylethyl)-4-(2-methylpropyl)benzene?
1-(1-bromo-2-cyclopropylethyl)-4-(2-methylpropyl)benzene has a molecular weight of 281.24 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-2-cyclopropylethyl)-4-(2-methylpropyl)benzene is sourced from PubChem (CID 63435610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).