1-(3-bromo-2-methylpropyl)-2-(2-methoxyethoxy)benzene

C13H19BrO2 — CID 104662872

IUPAC1-(3-bromo-2-methylpropyl)-2-(2-methoxyethoxy)benzene
SMILESCOCCOc1ccccc1CC(C)CBr
InChIInChI=1S/C13H19BrO2/c1-11(10-14)9-12-5-3-4-6-13(12)16-8-7-15-2/h3-6,11H,7-10H2,1-2H3
InChIKeyKEPQWTSUZAMSPB-UHFFFAOYSA-N
MW287.20 g/mol
LogP3.29
Rot. Bonds7

About 1-(3-bromo-2-methylpropyl)-2-(2-methoxyethoxy)benzene

1-(3-bromo-2-methylpropyl)-2-(2-methoxyethoxy)benzene (PubChem CID 104662872) has the molecular formula C13H19BrO2 and a molecular weight of 287.20 g/mol. Its IUPAC name is 1-(3-bromo-2-methylpropyl)-2-(2-methoxyethoxy)benzene.

Molecular Properties

Compound Name1-(3-bromo-2-methylpropyl)-2-(2-methoxyethoxy)benzene
PubChem CID104662872
Molecular FormulaC13H19BrO2
Molecular Weight287.20 g/mol
Exact Mass286.06
IUPAC Name1-(3-bromo-2-methylpropyl)-2-(2-methoxyethoxy)benzene
SMILESCOCCOc1ccccc1CC(C)CBr
InChIInChI=1S/C13H19BrO2/c1-11(10-14)9-12-5-3-4-6-13(12)16-8-7-15-2/h3-6,11H,7-10H2,1-2H3
InChIKeyKEPQWTSUZAMSPB-UHFFFAOYSA-N
XLogP3.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-methoxybutoxy)phenyl]propan-2-amine
CID 113437064
N-[[2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 61222098
1-[2-(2-methoxyethoxy)phenyl]pentan-3-ol
CID 24906226
1-(4-bromo-2-methylpentyl)-2-methoxybenzene
CID 64721690
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559788
[2-(2-methoxyethoxy)phenyl]methylhydrazine
CID 105220831
1-(bromomethyl)-2-(3-methylbutoxy)benzene
CID 43141565
1-(2-methylpropyl)-2-propoxybenzene
CID 54411248
1-(bromomethyl)-2-propoxybenzene
CID 43141572
1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine
CID 60907501
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104565556
(2S)-3-(2-ethoxyphenyl)-2-methylpropan-1-amine
CID 42325849

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylpropyl)-2-(2-methoxyethoxy)benzene?
The IUPAC name of 1-(3-bromo-2-methylpropyl)-2-(2-methoxyethoxy)benzene (CID 104662872) is 1-(3-bromo-2-methylpropyl)-2-(2-methoxyethoxy)benzene.
What is the SMILES notation for 1-(3-bromo-2-methylpropyl)-2-(2-methoxyethoxy)benzene?
The canonical SMILES for 1-(3-bromo-2-methylpropyl)-2-(2-methoxyethoxy)benzene is COCCOc1ccccc1CC(C)CBr.
What is the InChIKey of 1-(3-bromo-2-methylpropyl)-2-(2-methoxyethoxy)benzene?
The InChIKey is KEPQWTSUZAMSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO2/c1-11(10-14)9-12-5-3-4-6-13(12)16-8-7-15-2/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1-(3-bromo-2-methylpropyl)-2-(2-methoxyethoxy)benzene?
1-(3-bromo-2-methylpropyl)-2-(2-methoxyethoxy)benzene has a molecular weight of 287.20 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylpropyl)-2-(2-methoxyethoxy)benzene is sourced from PubChem (CID 104662872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).