6-[bromo-(1-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene

C18H25Br — CID 106828477

IUPAC6-[bromo-(1-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESCC1(C(Br)c2ccc3c(c2)CCCC3)CCCCC1
InChIInChI=1S/C18H25Br/c1-18(11-5-2-6-12-18)17(19)16-10-9-14-7-3-4-8-15(14)13-16/h9-10,13,17H,2-8,11-12H2,1H3
InChIKeyBBMSKBAYKULYER-UHFFFAOYSA-N
MW321.30 g/mol
LogP5.97
Rot. Bonds2

About 6-[bromo-(1-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene

6-[bromo-(1-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 106828477) has the molecular formula C18H25Br and a molecular weight of 321.30 g/mol. Its IUPAC name is 6-[bromo-(1-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-[bromo-(1-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID106828477
Molecular FormulaC18H25Br
Molecular Weight321.30 g/mol
Exact Mass320.11
IUPAC Name6-[bromo-(1-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESCC1(C(Br)c2ccc3c(c2)CCCC3)CCCCC1
InChIInChI=1S/C18H25Br/c1-18(11-5-2-6-12-18)17(19)16-10-9-14-7-3-4-8-15(14)13-16/h9-10,13,17H,2-8,11-12H2,1H3
InChIKeyBBMSKBAYKULYER-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.30
LogP ≤ 55.97
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

7-[bromo-(1-methylcyclohexyl)methyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 106828577
7-[bromo-(1-methylcyclohexyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 106828488
6-(1-bromo-2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 63439172
2-bromo-4-[bromo-(1-methylcyclohexyl)methyl]-1-propoxybenzene
CID 106828645
1-bromo-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 116961881
(2,2-dimethylcyclohexyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 107177030
N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine
CID 116954289
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896
6-[bromo-(3-bromo-4-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 107957814
6-[bromo-(4-bromo-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439086
2-[bromo-(1-methylcyclohexyl)methyl]-1,4-dichlorobenzene
CID 106828529
6-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 107991592

Frequently Asked Questions

What is the IUPAC name of 6-[bromo-(1-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-[bromo-(1-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene (CID 106828477) is 6-[bromo-(1-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-[bromo-(1-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-[bromo-(1-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene is CC1(C(Br)c2ccc3c(c2)CCCC3)CCCCC1.
What is the InChIKey of 6-[bromo-(1-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is BBMSKBAYKULYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Br/c1-18(11-5-2-6-12-18)17(19)16-10-9-14-7-3-4-8-15(14)13-16/h9-10,13,17H,2-8,11-12H2,1H3.
What are the key properties of 6-[bromo-(1-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene?
6-[bromo-(1-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 321.30 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bromo-(1-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 106828477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).