1-(4-bromopentan-2-yl)naphthalene

C15H17Br — CID 64720152

IUPAC1-(4-bromopentan-2-yl)naphthalene
SMILESCC(Br)CC(C)c1cccc2ccccc12
InChIInChI=1S/C15H17Br/c1-11(10-12(2)16)14-9-5-7-13-6-3-4-8-15(13)14/h3-9,11-12H,10H2,1-2H3
InChIKeyJZQWYIMDDDFHEM-UHFFFAOYSA-N
MW277.20 g/mol
LogP5.12
Rot. Bonds3

About 1-(4-bromopentan-2-yl)naphthalene

1-(4-bromopentan-2-yl)naphthalene (PubChem CID 64720152) has the molecular formula C15H17Br and a molecular weight of 277.20 g/mol. Its IUPAC name is 1-(4-bromopentan-2-yl)naphthalene.

Molecular Properties

Compound Name1-(4-bromopentan-2-yl)naphthalene
PubChem CID64720152
Molecular FormulaC15H17Br
Molecular Weight277.20 g/mol
Exact Mass276.05
IUPAC Name1-(4-bromopentan-2-yl)naphthalene
SMILESCC(Br)CC(C)c1cccc2ccccc12
InChIInChI=1S/C15H17Br/c1-11(10-12(2)16)14-9-5-7-13-6-3-4-8-15(13)14/h3-9,11-12H,10H2,1-2H3
InChIKeyJZQWYIMDDDFHEM-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.20
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(4-bromopentan-2-yl)naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-bromopentan-2-yl)isoquinoline
CID 64720588
difluoro(2-naphthalen-1-ylpropyl)silane
CID 137328904
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
1-[1-(2-naphthalen-1-ylpropoxy)propan-2-yl]naphthalene
CID 69118835
7-(4-bromopentan-2-yl)-1-benzothiophene
CID 81148326
1-(4-bromopentan-2-yl)-2,3-dimethylbenzene
CID 64718581
1-[(2R)-butan-2-yl]naphthalene;pentane
CID 142150914
cerium(3+);2-naphthalen-1-ylpropan-1-amine;trichloride;hydrate
CID 159849461
CID 174906138
CID 174906138
1-(2-methyl-1-naphthalen-1-ylpropyl)naphthalene
CID 174755343
3-naphthalen-1-ylbutanoic acid
CID 43211329
potassium [(1S)-1-naphthalen-1-ylethyl]azanide
CID 100993742

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromopentan-2-yl)naphthalene?
The IUPAC name of 1-(4-bromopentan-2-yl)naphthalene (CID 64720152) is 1-(4-bromopentan-2-yl)naphthalene.
What is the SMILES notation for 1-(4-bromopentan-2-yl)naphthalene?
The canonical SMILES for 1-(4-bromopentan-2-yl)naphthalene is CC(Br)CC(C)c1cccc2ccccc12.
What is the InChIKey of 1-(4-bromopentan-2-yl)naphthalene?
The InChIKey is JZQWYIMDDDFHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br/c1-11(10-12(2)16)14-9-5-7-13-6-3-4-8-15(13)14/h3-9,11-12H,10H2,1-2H3.
What are the key properties of 1-(4-bromopentan-2-yl)naphthalene?
1-(4-bromopentan-2-yl)naphthalene has a molecular weight of 277.20 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromopentan-2-yl)naphthalene is sourced from PubChem (CID 64720152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).