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

C16H18ClN — CID 66459967

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

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

4-[1-chloro-1-(2,4-dimethylphenyl)propan-2-yl]pyridine (PubChem CID 66459967) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is 4-[1-chloro-1-(2,4-dimethylphenyl)propan-2-yl]pyridine.

Molecular Properties

Compound Name4-[1-chloro-1-(2,4-dimethylphenyl)propan-2-yl]pyridine
PubChem CID66459967
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name4-[1-chloro-1-(2,4-dimethylphenyl)propan-2-yl]pyridine
SMILESCc1ccc(C(Cl)C(C)c2ccncc2)c(C)c1
InChIInChI=1S/C16H18ClN/c1-11-4-5-15(12(2)10-11)16(17)13(3)14-6-8-18-9-7-14/h4-10,13,16H,1-3H3
InChIKeyQVDFCPXTQSUNLV-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'}

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Related Compounds

4-[1-chloro-1-(2,5-dimethylphenyl)propan-2-yl]pyridine
CID 66458948
4-[1-chloro-1-(3-methylphenyl)propan-2-yl]pyridine
CID 66459346
4-[1-chloro-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine
CID 66461765
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-[3-(2,4-dimethylphenyl)butan-2-yl]-2,4-dimethylbenzene;ethane
CID 91220313
4-[1-chloro-1-(2,6-difluoro-3-methylphenyl)propan-2-yl]pyridine
CID 82818474
1-[chloro-(4-methylphenyl)methyl]-2,4-dimethylbenzene
CID 63428656
1-(2-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-ol
CID 81118052
2,4-dimethyl-N-(1-pyridin-4-ylethyl)aniline
CID 43189781
3-(2,4-dimethylphenyl)-N,N-dimethylbutan-2-amine
CID 137390997
4-[1-chloro-1-(3-iodophenyl)propan-2-yl]pyridine
CID 66460565

Frequently Asked Questions

What is the IUPAC name of 4-[1-chloro-1-(2,4-dimethylphenyl)propan-2-yl]pyridine?
The IUPAC name of 4-[1-chloro-1-(2,4-dimethylphenyl)propan-2-yl]pyridine (CID 66459967) is 4-[1-chloro-1-(2,4-dimethylphenyl)propan-2-yl]pyridine.
What is the SMILES notation for 4-[1-chloro-1-(2,4-dimethylphenyl)propan-2-yl]pyridine?
The canonical SMILES for 4-[1-chloro-1-(2,4-dimethylphenyl)propan-2-yl]pyridine is Cc1ccc(C(Cl)C(C)c2ccncc2)c(C)c1.
What is the InChIKey of 4-[1-chloro-1-(2,4-dimethylphenyl)propan-2-yl]pyridine?
The InChIKey is QVDFCPXTQSUNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-11-4-5-15(12(2)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-(2,4-dimethylphenyl)propan-2-yl]pyridine?
4-[1-chloro-1-(2,4-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-(2,4-dimethylphenyl)propan-2-yl]pyridine is sourced from PubChem (CID 66459967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).