1-(1-bromo-2,2-dimethylpropyl)-4-chloronaphthalene

C15H16BrCl — CID 79597822

IUPAC1-(1-bromo-2,2-dimethylpropyl)-4-chloronaphthalene
SMILESCC(C)(C)C(Br)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C15H16BrCl/c1-15(2,3)14(16)12-8-9-13(17)11-7-5-4-6-10(11)12/h4-9,14H,1-3H3
InChIKeyHPPHFZMXECQYRD-UHFFFAOYSA-N
MW311.65 g/mol
LogP5.98
Rot. Bonds1

About 1-(1-bromo-2,2-dimethylpropyl)-4-chloronaphthalene

1-(1-bromo-2,2-dimethylpropyl)-4-chloronaphthalene (PubChem CID 79597822) has the molecular formula C15H16BrCl and a molecular weight of 311.65 g/mol. Its IUPAC name is 1-(1-bromo-2,2-dimethylpropyl)-4-chloronaphthalene.

Molecular Properties

Compound Name1-(1-bromo-2,2-dimethylpropyl)-4-chloronaphthalene
PubChem CID79597822
Molecular FormulaC15H16BrCl
Molecular Weight311.65 g/mol
Exact Mass310.01
IUPAC Name1-(1-bromo-2,2-dimethylpropyl)-4-chloronaphthalene
SMILESCC(C)(C)C(Br)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C15H16BrCl/c1-15(2,3)14(16)12-8-9-13(17)11-7-5-4-6-10(11)12/h4-9,14H,1-3H3
InChIKeyHPPHFZMXECQYRD-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.65
LogP ≤ 55.98
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

1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-amine
CID 79597241
1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-chloronaphthalene
CID 106863195
1-(4-chloronaphthalen-1-yl)-2,2-dimethylbutan-1-amine
CID 79597516
1-(4-chloronaphthalen-1-yl)-N,3,3-trimethylbutan-1-amine
CID 79597722
1-chloro-4-(1-chloro-3,4,4-trimethylpentyl)naphthalene
CID 79596839
(1S)-1-(4-chloronaphthalen-1-yl)ethanol
CID 82758359
1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloronaphthalene
CID 79592838
1-[bromo-(3,5-dimethylphenyl)methyl]-4-chloronaphthalene
CID 79593024
1-[bromo-(4-chlorophenyl)methyl]-4-chloronaphthalene
CID 79597605
(4-chloronaphthalen-1-yl)-(2-methylphenyl)methanol
CID 79597180
1-[bromo-(3,5-dichlorophenyl)methyl]-4-chloronaphthalene
CID 79593014
2-[bromo-(4-chloronaphthalen-1-yl)methyl]-5-methylthiophene
CID 79596914

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-2,2-dimethylpropyl)-4-chloronaphthalene?
The IUPAC name of 1-(1-bromo-2,2-dimethylpropyl)-4-chloronaphthalene (CID 79597822) is 1-(1-bromo-2,2-dimethylpropyl)-4-chloronaphthalene.
What is the SMILES notation for 1-(1-bromo-2,2-dimethylpropyl)-4-chloronaphthalene?
The canonical SMILES for 1-(1-bromo-2,2-dimethylpropyl)-4-chloronaphthalene is CC(C)(C)C(Br)c1ccc(Cl)c2ccccc12.
What is the InChIKey of 1-(1-bromo-2,2-dimethylpropyl)-4-chloronaphthalene?
The InChIKey is HPPHFZMXECQYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrCl/c1-15(2,3)14(16)12-8-9-13(17)11-7-5-4-6-10(11)12/h4-9,14H,1-3H3.
What are the key properties of 1-(1-bromo-2,2-dimethylpropyl)-4-chloronaphthalene?
1-(1-bromo-2,2-dimethylpropyl)-4-chloronaphthalene has a molecular weight of 311.65 g/mol, XLogP of 5.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-2,2-dimethylpropyl)-4-chloronaphthalene is sourced from PubChem (CID 79597822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).