1-[bromo(cyclohexyl)methyl]-2-methylnaphthalene

C18H21Br — CID 81432915

IUPAC1-[bromo(cyclohexyl)methyl]-2-methylnaphthalene
SMILESCc1ccc2ccccc2c1C(Br)C1CCCCC1
InChIInChI=1S/C18H21Br/c1-13-11-12-14-7-5-6-10-16(14)17(13)18(19)15-8-3-2-4-9-15/h5-7,10-12,15,18H,2-4,8-9H2,1H3
InChIKeyIEYBBXLRZVEYMY-UHFFFAOYSA-N
MW317.27 g/mol
LogP6.16
Rot. Bonds2

About 1-[bromo(cyclohexyl)methyl]-2-methylnaphthalene

1-[bromo(cyclohexyl)methyl]-2-methylnaphthalene (PubChem CID 81432915) has the molecular formula C18H21Br and a molecular weight of 317.27 g/mol. Its IUPAC name is 1-[bromo(cyclohexyl)methyl]-2-methylnaphthalene.

Molecular Properties

Compound Name1-[bromo(cyclohexyl)methyl]-2-methylnaphthalene
PubChem CID81432915
Molecular FormulaC18H21Br
Molecular Weight317.27 g/mol
Exact Mass316.08
IUPAC Name1-[bromo(cyclohexyl)methyl]-2-methylnaphthalene
SMILESCc1ccc2ccccc2c1C(Br)C1CCCCC1
InChIInChI=1S/C18H21Br/c1-13-11-12-14-7-5-6-10-16(14)17(13)18(19)15-8-3-2-4-9-15/h5-7,10-12,15,18H,2-4,8-9H2,1H3
InChIKeyIEYBBXLRZVEYMY-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.27
LogP ≤ 56.16
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-[bromo-(2-methylnaphthalen-1-yl)methyl]oxane
CID 81431949
1-(1-bromo-2-cyclopropylethyl)-2-methylnaphthalene
CID 81432823
2-cyclohexyl-N-methyl-1-(2-methylnaphthalen-1-yl)ethanamine
CID 81429025
3-cyclohexyl-1-(2-methylnaphthalen-1-yl)propan-1-amine
CID 81430295
2-cyclopentyl-N-ethyl-1-(2-methylnaphthalen-1-yl)ethanamine
CID 81429431
ethane;2-methyl-1-propan-2-ylnaphthalene
CID 144871891
1-(1-bromo-2-methylbutyl)-2-methylnaphthalene
CID 81431739
N-[2-[[hydroxy-(2-methylnaphthalen-1-yl)methyl]amino]cyclohexyl]-2-methylnaphthalene-1-carboxamide
CID 18739892
1-(2-methylnaphthalen-1-yl)propan-1-ol
CID 80502673
(1-methylcyclopentyl)-(2-methylnaphthalen-1-yl)methanamine
CID 81432883
1-[bromo-(4-methoxyphenyl)methyl]-2-methylnaphthalene
CID 81429056
1-(2-methylnaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol
CID 81432637

Frequently Asked Questions

What is the IUPAC name of 1-[bromo(cyclohexyl)methyl]-2-methylnaphthalene?
The IUPAC name of 1-[bromo(cyclohexyl)methyl]-2-methylnaphthalene (CID 81432915) is 1-[bromo(cyclohexyl)methyl]-2-methylnaphthalene.
What is the SMILES notation for 1-[bromo(cyclohexyl)methyl]-2-methylnaphthalene?
The canonical SMILES for 1-[bromo(cyclohexyl)methyl]-2-methylnaphthalene is Cc1ccc2ccccc2c1C(Br)C1CCCCC1.
What is the InChIKey of 1-[bromo(cyclohexyl)methyl]-2-methylnaphthalene?
The InChIKey is IEYBBXLRZVEYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Br/c1-13-11-12-14-7-5-6-10-16(14)17(13)18(19)15-8-3-2-4-9-15/h5-7,10-12,15,18H,2-4,8-9H2,1H3.
What are the key properties of 1-[bromo(cyclohexyl)methyl]-2-methylnaphthalene?
1-[bromo(cyclohexyl)methyl]-2-methylnaphthalene has a molecular weight of 317.27 g/mol, XLogP of 6.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo(cyclohexyl)methyl]-2-methylnaphthalene is sourced from PubChem (CID 81432915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).