[1-bromo-2-(3-bromophenyl)ethyl]cycloheptane

C15H20Br2 — CID 63531421

IUPAC[1-bromo-2-(3-bromophenyl)ethyl]cycloheptane
SMILESBrc1cccc(CC(Br)C2CCCCCC2)c1
InChIInChI=1S/C15H20Br2/c16-14-9-5-6-12(10-14)11-15(17)13-7-3-1-2-4-8-13/h5-6,9-10,13,15H,1-4,7-8,11H2
InChIKeyAZLFXKOIDPLPPB-UHFFFAOYSA-N
MW360.13 g/mol
LogP5.73
Rot. Bonds3

About [1-bromo-2-(3-bromophenyl)ethyl]cycloheptane

[1-bromo-2-(3-bromophenyl)ethyl]cycloheptane (PubChem CID 63531421) has the molecular formula C15H20Br2 and a molecular weight of 360.13 g/mol. Its IUPAC name is [1-bromo-2-(3-bromophenyl)ethyl]cycloheptane.

Molecular Properties

Compound Name[1-bromo-2-(3-bromophenyl)ethyl]cycloheptane
PubChem CID63531421
Molecular FormulaC15H20Br2
Molecular Weight360.13 g/mol
Exact Mass357.99
IUPAC Name[1-bromo-2-(3-bromophenyl)ethyl]cycloheptane
SMILESBrc1cccc(CC(Br)C2CCCCCC2)c1
InChIInChI=1S/C15H20Br2/c16-14-9-5-6-12(10-14)11-15(17)13-7-3-1-2-4-8-13/h5-6,9-10,13,15H,1-4,7-8,11H2
InChIKeyAZLFXKOIDPLPPB-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.13
LogP ≤ 55.73
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

2-(3-bromophenyl)-1-cycloheptylethanol
CID 63519836
1-(3-bromophenyl)-3-cycloheptylpropan-2-amine
CID 114458146
1-bromo-3-[2-bromo-2-(2-methylcyclopentyl)ethyl]benzene
CID 107183721
1-bromo-3-(2-chloro-3-cyclopentylpropyl)benzene
CID 63542179
N-[2-(3-bromophenyl)-1-cyclohexylethyl]propan-1-amine
CID 55020965
2-(2-bromo-2-cyclopentylethyl)naphthalene
CID 63543408
[2-(3-bromophenyl)-1-cyclobutylethyl]hydrazine
CID 105202856
N-[1-(3-bromophenyl)propan-2-yl]cyclopentanamine
CID 82262667
1-bromo-3-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]benzene
CID 107003144
(1S)-N-[(3-bromophenyl)methyl]-1-cycloheptylethanamine
CID 81388696
(1S)-N-[(3-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81387900
1-bromo-3-[2-bromo-2-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzene
CID 66478431

Frequently Asked Questions

What is the IUPAC name of [1-bromo-2-(3-bromophenyl)ethyl]cycloheptane?
The IUPAC name of [1-bromo-2-(3-bromophenyl)ethyl]cycloheptane (CID 63531421) is [1-bromo-2-(3-bromophenyl)ethyl]cycloheptane.
What is the SMILES notation for [1-bromo-2-(3-bromophenyl)ethyl]cycloheptane?
The canonical SMILES for [1-bromo-2-(3-bromophenyl)ethyl]cycloheptane is Brc1cccc(CC(Br)C2CCCCCC2)c1.
What is the InChIKey of [1-bromo-2-(3-bromophenyl)ethyl]cycloheptane?
The InChIKey is AZLFXKOIDPLPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2/c16-14-9-5-6-12(10-14)11-15(17)13-7-3-1-2-4-8-13/h5-6,9-10,13,15H,1-4,7-8,11H2.
What are the key properties of [1-bromo-2-(3-bromophenyl)ethyl]cycloheptane?
[1-bromo-2-(3-bromophenyl)ethyl]cycloheptane has a molecular weight of 360.13 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-bromo-2-(3-bromophenyl)ethyl]cycloheptane is sourced from PubChem (CID 63531421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).