4-[1-chloro-1-(2,5-dimethylphenyl)propan-2-yl]pyridine

C16H18ClN — CID 66458948

IUPAC4-[1-chloro-1-(2,5-dimethylphenyl)propan-2-yl]pyridine
SMILESCc1ccc(C)c(C(Cl)C(C)c2ccncc2)c1
InChIInChI=1S/C16H18ClN/c1-11-4-5-12(2)15(10-11)16(17)13(3)14-6-8-18-9-7-14/h4-10,13,16H,1-3H3
InChIKeyKHYCDVPFXGQTAT-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.78
Rot. Bonds3

About 4-[1-chloro-1-(2,5-dimethylphenyl)propan-2-yl]pyridine

4-[1-chloro-1-(2,5-dimethylphenyl)propan-2-yl]pyridine (PubChem CID 66458948) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is 4-[1-chloro-1-(2,5-dimethylphenyl)propan-2-yl]pyridine.

Molecular Properties

Compound Name4-[1-chloro-1-(2,5-dimethylphenyl)propan-2-yl]pyridine
PubChem CID66458948
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name4-[1-chloro-1-(2,5-dimethylphenyl)propan-2-yl]pyridine
SMILESCc1ccc(C)c(C(Cl)C(C)c2ccncc2)c1
InChIInChI=1S/C16H18ClN/c1-11-4-5-12(2)15(10-11)16(17)13(3)14-6-8-18-9-7-14/h4-10,13,16H,1-3H3
InChIKeyKHYCDVPFXGQTAT-UHFFFAOYSA-N
XLogP4.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[1-chloro-1-(2,5-dimethylphenyl)propan-2-yl]pyridine 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-[1-chloro-1-(2,4-dimethylphenyl)propan-2-yl]pyridine
CID 66459967
4-[1-chloro-1-(2,6-difluoro-3-methylphenyl)propan-2-yl]pyridine
CID 82818474
4-[1-chloro-1-(5-methylfuran-3-yl)propan-2-yl]pyridine
CID 114823989
4-[1-chloro-1-(5-chloro-2-iodophenyl)propan-2-yl]pyridine
CID 114029831
1-(2-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-ol
CID 81118052
4-[1-chloro-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine
CID 66461765
4-[1-chloro-1-(2,3-dimethoxyphenyl)propan-2-yl]pyridine
CID 66460366
3-chloro-4-[2-chloro-2-(2,5-dimethylphenyl)ethyl]pyridine
CID 112655906
1-(2,5-dimethylphenyl)ethanamine
CID 4991344
4-methyl-2-[1-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]phenol
CID 81405986
2,4-dimethyl-N-(1-pyridin-4-ylethyl)aniline
CID 43189781
4-[1-(1,3-benzodioxol-5-yl)-1-chloropropan-2-yl]pyridine
CID 66461171

Frequently Asked Questions

What is the IUPAC name of 4-[1-chloro-1-(2,5-dimethylphenyl)propan-2-yl]pyridine?
The IUPAC name of 4-[1-chloro-1-(2,5-dimethylphenyl)propan-2-yl]pyridine (CID 66458948) is 4-[1-chloro-1-(2,5-dimethylphenyl)propan-2-yl]pyridine.
What is the SMILES notation for 4-[1-chloro-1-(2,5-dimethylphenyl)propan-2-yl]pyridine?
The canonical SMILES for 4-[1-chloro-1-(2,5-dimethylphenyl)propan-2-yl]pyridine is Cc1ccc(C)c(C(Cl)C(C)c2ccncc2)c1.
What is the InChIKey of 4-[1-chloro-1-(2,5-dimethylphenyl)propan-2-yl]pyridine?
The InChIKey is KHYCDVPFXGQTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-11-4-5-12(2)15(10-11)16(17)13(3)14-6-8-18-9-7-14/h4-10,13,16H,1-3H3.
What are the key properties of 4-[1-chloro-1-(2,5-dimethylphenyl)propan-2-yl]pyridine?
4-[1-chloro-1-(2,5-dimethylphenyl)propan-2-yl]pyridine has a molecular weight of 259.78 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-chloro-1-(2,5-dimethylphenyl)propan-2-yl]pyridine is sourced from PubChem (CID 66458948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).