[2-(4-chloropentan-2-yl)cyclopropyl]benzene

C14H19Cl — CID 116518369

IUPAC[2-(4-chloropentan-2-yl)cyclopropyl]benzene
SMILESCC(Cl)CC(C)C1CC1c1ccccc1
InChIInChI=1S/C14H19Cl/c1-10(8-11(2)15)13-9-14(13)12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3
InChIKeyQMMADZZDMMOYPJ-UHFFFAOYSA-N
MW222.76 g/mol
LogP4.44
Rot. Bonds4

About [2-(4-chloropentan-2-yl)cyclopropyl]benzene

[2-(4-chloropentan-2-yl)cyclopropyl]benzene (PubChem CID 116518369) has the molecular formula C14H19Cl and a molecular weight of 222.76 g/mol. Its IUPAC name is [2-(4-chloropentan-2-yl)cyclopropyl]benzene.

Molecular Properties

Compound Name[2-(4-chloropentan-2-yl)cyclopropyl]benzene
PubChem CID116518369
Molecular FormulaC14H19Cl
Molecular Weight222.76 g/mol
Exact Mass222.12
IUPAC Name[2-(4-chloropentan-2-yl)cyclopropyl]benzene
SMILESCC(Cl)CC(C)C1CC1c1ccccc1
InChIInChI=1S/C14H19Cl/c1-10(8-11(2)15)13-9-14(13)12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3
InChIKeyQMMADZZDMMOYPJ-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.76
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [2-(4-chloropentan-2-yl)cyclopropyl]benzene 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

[(1S,2R)-2-butan-2-ylcyclopropyl]benzene
CID 100977404
2-[(1S,2S)-2-phenylcyclopropyl]propan-1-ol
CID 130128748
3-(2-phenylcyclopropyl)butan-1-amine
CID 116518610
3-methyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 116517331
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
1-(2-phenylcyclopropyl)propan-1-amine
CID 116517334
3-methyl-1-(2-phenylcyclopropyl)hexan-1-amine
CID 115845595
N-tert-butyl-2-methyl-3-(2-phenylcyclopropyl)butan-1-amine
CID 116518632
4-[chloro-(2-phenylcyclopropyl)methyl]-1,2-diethylbenzene
CID 115482907
1-(2-phenylcyclopropyl)-2-(propan-2-ylamino)ethanol
CID 116518402
(2-methylcyclopropyl)-(2-phenylcyclopropyl)methanol
CID 116517226
(1S)-1-[(1S,2S)-2-phenylcyclopropyl]ethane-1,2-diol
CID 11769104

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloropentan-2-yl)cyclopropyl]benzene?
The IUPAC name of [2-(4-chloropentan-2-yl)cyclopropyl]benzene (CID 116518369) is [2-(4-chloropentan-2-yl)cyclopropyl]benzene.
What is the SMILES notation for [2-(4-chloropentan-2-yl)cyclopropyl]benzene?
The canonical SMILES for [2-(4-chloropentan-2-yl)cyclopropyl]benzene is CC(Cl)CC(C)C1CC1c1ccccc1.
What is the InChIKey of [2-(4-chloropentan-2-yl)cyclopropyl]benzene?
The InChIKey is QMMADZZDMMOYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl/c1-10(8-11(2)15)13-9-14(13)12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3.
What are the key properties of [2-(4-chloropentan-2-yl)cyclopropyl]benzene?
[2-(4-chloropentan-2-yl)cyclopropyl]benzene has a molecular weight of 222.76 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloropentan-2-yl)cyclopropyl]benzene is sourced from PubChem (CID 116518369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).