1-(1-chloro-4-methylpentan-2-yl)naphthalene

C16H19Cl — CID 69413488

IUPAC1-(1-chloro-4-methylpentan-2-yl)naphthalene
SMILESCC(C)CC(CCl)c1cccc2ccccc12
InChIInChI=1S/C16H19Cl/c1-12(2)10-14(11-17)16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14H,10-11H2,1-2H3
InChIKeyRXCUXESDWOBWKV-UHFFFAOYSA-N
MW246.78 g/mol
LogP5.21
Rot. Bonds4

About 1-(1-chloro-4-methylpentan-2-yl)naphthalene

1-(1-chloro-4-methylpentan-2-yl)naphthalene (PubChem CID 69413488) has the molecular formula C16H19Cl and a molecular weight of 246.78 g/mol. Its IUPAC name is 1-(1-chloro-4-methylpentan-2-yl)naphthalene.

Molecular Properties

Compound Name1-(1-chloro-4-methylpentan-2-yl)naphthalene
PubChem CID69413488
Molecular FormulaC16H19Cl
Molecular Weight246.78 g/mol
Exact Mass246.12
IUPAC Name1-(1-chloro-4-methylpentan-2-yl)naphthalene
SMILESCC(C)CC(CCl)c1cccc2ccccc12
InChIInChI=1S/C16H19Cl/c1-12(2)10-14(11-17)16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14H,10-11H2,1-2H3
InChIKeyRXCUXESDWOBWKV-UHFFFAOYSA-N
XLogP5.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.78
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(1-chloro-4-methylpentan-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

1-(1-chloro-4-methylpentan-2-yl)-2-methylbenzene
CID 79419088
(1S)-2-chloro-1-naphthalen-1-ylethanol
CID 68839318
(3-methyl-1-naphthalen-1-ylbutyl)azanium chloride
CID 121438347
N,3-dimethyl-1-naphthalen-1-ylbutan-1-amine
CID 62716736
methanol;1-(2,2,5-trimethylhexan-3-yl)naphthalene
CID 144559923
2-chloro-1-naphthalen-1-ylethanamine
CID 116937640
2-methyl-1-naphthalen-1-ylpropan-1-amine
CID 14948205
1-(3-chlorobutan-2-yl)naphthalene
CID 66471856
N-ethyl-3-methyl-1-naphthalen-1-ylbutan-1-amine
CID 62715882
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
CID 174906138
CID 174906138
1-(2-methyl-1-naphthalen-1-ylpropyl)naphthalene
CID 174755343

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-4-methylpentan-2-yl)naphthalene?
The IUPAC name of 1-(1-chloro-4-methylpentan-2-yl)naphthalene (CID 69413488) is 1-(1-chloro-4-methylpentan-2-yl)naphthalene.
What is the SMILES notation for 1-(1-chloro-4-methylpentan-2-yl)naphthalene?
The canonical SMILES for 1-(1-chloro-4-methylpentan-2-yl)naphthalene is CC(C)CC(CCl)c1cccc2ccccc12.
What is the InChIKey of 1-(1-chloro-4-methylpentan-2-yl)naphthalene?
The InChIKey is RXCUXESDWOBWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl/c1-12(2)10-14(11-17)16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14H,10-11H2,1-2H3.
What are the key properties of 1-(1-chloro-4-methylpentan-2-yl)naphthalene?
1-(1-chloro-4-methylpentan-2-yl)naphthalene has a molecular weight of 246.78 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-4-methylpentan-2-yl)naphthalene is sourced from PubChem (CID 69413488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).