1-(1-bromo-2-methylbutyl)-2-methylnaphthalene

C16H19Br — CID 81431739

IUPAC1-(1-bromo-2-methylbutyl)-2-methylnaphthalene
SMILESCCC(C)C(Br)c1c(C)ccc2ccccc12
InChIInChI=1S/C16H19Br/c1-4-11(2)16(17)15-12(3)9-10-13-7-5-6-8-14(13)15/h5-11,16H,4H2,1-3H3
InChIKeyDHCZYNJEYLRVBS-UHFFFAOYSA-N
MW291.23 g/mol
LogP5.63
Rot. Bonds3

About 1-(1-bromo-2-methylbutyl)-2-methylnaphthalene

1-(1-bromo-2-methylbutyl)-2-methylnaphthalene (PubChem CID 81431739) has the molecular formula C16H19Br and a molecular weight of 291.23 g/mol. Its IUPAC name is 1-(1-bromo-2-methylbutyl)-2-methylnaphthalene.

Molecular Properties

Compound Name1-(1-bromo-2-methylbutyl)-2-methylnaphthalene
PubChem CID81431739
Molecular FormulaC16H19Br
Molecular Weight291.23 g/mol
Exact Mass290.07
IUPAC Name1-(1-bromo-2-methylbutyl)-2-methylnaphthalene
SMILESCCC(C)C(Br)c1c(C)ccc2ccccc12
InChIInChI=1S/C16H19Br/c1-4-11(2)16(17)15-12(3)9-10-13-7-5-6-8-14(13)15/h5-11,16H,4H2,1-3H3
InChIKeyDHCZYNJEYLRVBS-UHFFFAOYSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.23
LogP ≤ 55.63
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

ethane;2-methyl-1-propan-2-ylnaphthalene
CID 144871891
1-(2-methylnaphthalen-1-yl)propan-1-ol
CID 80502673
1-(1-chloro-2-methylpentyl)-2-methylnaphthalene
CID 81431735
1-[bromo-(4-methoxyphenyl)methyl]-2-methylnaphthalene
CID 81429056
2,3-dimethyl-1-(2-methylnaphthalen-1-yl)butan-1-ol
CID 81432516
1-(1-bromo-2-cyclopropylethyl)-2-methylnaphthalene
CID 81432823
3-methyl-1-(2-methylnaphthalen-1-yl)-N-propylpentan-1-amine
CID 114874570
1-[bromo(cyclohexyl)methyl]-2-methylnaphthalene
CID 81432915
1-[1-bromo-2-(2-fluorophenyl)ethyl]-2-methylnaphthalene
CID 81430334
1-[bromo-(5-chloro-2-methylphenyl)methyl]-2-methylnaphthalene
CID 82874592
1-[1-bromo-3-(2,2,2-trifluoroethoxy)propyl]-2-methylnaphthalene
CID 103211310
1-[bromo-(2,3-difluorophenyl)methyl]-2-methylnaphthalene
CID 81430617

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-2-methylbutyl)-2-methylnaphthalene?
The IUPAC name of 1-(1-bromo-2-methylbutyl)-2-methylnaphthalene (CID 81431739) is 1-(1-bromo-2-methylbutyl)-2-methylnaphthalene.
What is the SMILES notation for 1-(1-bromo-2-methylbutyl)-2-methylnaphthalene?
The canonical SMILES for 1-(1-bromo-2-methylbutyl)-2-methylnaphthalene is CCC(C)C(Br)c1c(C)ccc2ccccc12.
What is the InChIKey of 1-(1-bromo-2-methylbutyl)-2-methylnaphthalene?
The InChIKey is DHCZYNJEYLRVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Br/c1-4-11(2)16(17)15-12(3)9-10-13-7-5-6-8-14(13)15/h5-11,16H,4H2,1-3H3.
What are the key properties of 1-(1-bromo-2-methylbutyl)-2-methylnaphthalene?
1-(1-bromo-2-methylbutyl)-2-methylnaphthalene has a molecular weight of 291.23 g/mol, XLogP of 5.63, 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-methylbutyl)-2-methylnaphthalene is sourced from PubChem (CID 81431739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).