1-[2-bromo-2-(2,3-dimethylphenyl)ethyl]naphthalene

C20H19Br — CID 63544130

IUPAC1-[2-bromo-2-(2,3-dimethylphenyl)ethyl]naphthalene
SMILESCc1cccc(C(Br)Cc2cccc3ccccc23)c1C
InChIInChI=1S/C20H19Br/c1-14-7-5-12-18(15(14)2)20(21)13-17-10-6-9-16-8-3-4-11-19(16)17/h3-12,20H,13H2,1-2H3
InChIKeyGTFKIXPCJWBJJI-UHFFFAOYSA-N
MW339.28 g/mol
LogP6.14
Rot. Bonds3

About 1-[2-bromo-2-(2,3-dimethylphenyl)ethyl]naphthalene

1-[2-bromo-2-(2,3-dimethylphenyl)ethyl]naphthalene (PubChem CID 63544130) has the molecular formula C20H19Br and a molecular weight of 339.28 g/mol. Its IUPAC name is 1-[2-bromo-2-(2,3-dimethylphenyl)ethyl]naphthalene.

Molecular Properties

Compound Name1-[2-bromo-2-(2,3-dimethylphenyl)ethyl]naphthalene
PubChem CID63544130
Molecular FormulaC20H19Br
Molecular Weight339.28 g/mol
Exact Mass338.07
IUPAC Name1-[2-bromo-2-(2,3-dimethylphenyl)ethyl]naphthalene
SMILESCc1cccc(C(Br)Cc2cccc3ccccc23)c1C
InChIInChI=1S/C20H19Br/c1-14-7-5-12-18(15(14)2)20(21)13-17-10-6-9-16-8-3-4-11-19(16)17/h3-12,20H,13H2,1-2H3
InChIKeyGTFKIXPCJWBJJI-UHFFFAOYSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.28
LogP ≤ 56.14
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-[2-bromo-2-(2-bromo-5-methylphenyl)ethyl]naphthalene
CID 81116817
1-[2-(2-bromo-3-methylphenyl)-2-chloroethyl]naphthalene
CID 107983852
2-bromo-1-[1-bromo-2-(2-methylphenyl)ethyl]-3-methylbenzene
CID 114024046
2-bromo-3-(1-bromo-2-naphthalen-1-ylethyl)furan
CID 106856014
5-(1-bromo-2-naphthalen-1-ylethyl)-2,3-dimethylthiophene
CID 65238268
1-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]naphthalene
CID 81476246
2,5-dibromo-3-(1-bromo-2-naphthalen-1-ylethyl)thiophene
CID 107965769
1-[2-bromo-2-(2,5-dibromophenyl)ethyl]naphthalene
CID 114375566
1-[1-bromo-2-(4-chlorophenyl)ethyl]-2,3-dimethylbenzene
CID 63542441
1-[2-bromo-2-(4-chlorophenyl)ethyl]naphthalene
CID 63543264
1-[1-bromo-2-(2-fluorophenyl)ethyl]-2-iodo-3-methylbenzene
CID 114029625
2-(2-methoxy-4,5-dimethylphenyl)-3-naphthalen-1-ylpropan-1-amine
CID 83974910

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-2-(2,3-dimethylphenyl)ethyl]naphthalene?
The IUPAC name of 1-[2-bromo-2-(2,3-dimethylphenyl)ethyl]naphthalene (CID 63544130) is 1-[2-bromo-2-(2,3-dimethylphenyl)ethyl]naphthalene.
What is the SMILES notation for 1-[2-bromo-2-(2,3-dimethylphenyl)ethyl]naphthalene?
The canonical SMILES for 1-[2-bromo-2-(2,3-dimethylphenyl)ethyl]naphthalene is Cc1cccc(C(Br)Cc2cccc3ccccc23)c1C.
What is the InChIKey of 1-[2-bromo-2-(2,3-dimethylphenyl)ethyl]naphthalene?
The InChIKey is GTFKIXPCJWBJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Br/c1-14-7-5-12-18(15(14)2)20(21)13-17-10-6-9-16-8-3-4-11-19(16)17/h3-12,20H,13H2,1-2H3.
What are the key properties of 1-[2-bromo-2-(2,3-dimethylphenyl)ethyl]naphthalene?
1-[2-bromo-2-(2,3-dimethylphenyl)ethyl]naphthalene has a molecular weight of 339.28 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-2-(2,3-dimethylphenyl)ethyl]naphthalene is sourced from PubChem (CID 63544130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).