2-[2-chloro-2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine

C16H18ClN — CID 66460202

IUPAC2-[2-chloro-2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine
SMILESCc1ccc(C(Cl)Cc2ncccc2C)c(C)c1
InChIInChI=1S/C16H18ClN/c1-11-6-7-14(13(3)9-11)15(17)10-16-12(2)5-4-8-18-16/h4-9,15H,10H2,1-3H3
InChIKeyHUMVYIYLLPGELP-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.53
Rot. Bonds3

About 2-[2-chloro-2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine

2-[2-chloro-2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine (PubChem CID 66460202) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is 2-[2-chloro-2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[2-chloro-2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine
PubChem CID66460202
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name2-[2-chloro-2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine
SMILESCc1ccc(C(Cl)Cc2ncccc2C)c(C)c1
InChIInChI=1S/C16H18ClN/c1-11-6-7-14(13(3)9-11)15(17)10-16-12(2)5-4-8-18-16/h4-9,15H,10H2,1-3H3
InChIKeyHUMVYIYLLPGELP-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
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

2-[2-(2-bromo-4-chlorophenyl)-2-chloroethyl]-3-methylpyridine
CID 107995639
2-[2-chloro-2-(2-chlorofuran-3-yl)ethyl]-3-methylpyridine
CID 106690733
2-[2-(3-bromo-2-methylphenyl)-2-chloroethyl]-3-methylpyridine
CID 66459993
2-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]-3-methylpyridine
CID 81324998
2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]-3-methylpyridine
CID 66460997
2-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]-3-methylpyridine
CID 66458987
2-[2-chloro-2-(furan-2-yl)ethyl]-3-methylpyridine
CID 66460598
1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2,4-dimethylbenzene
CID 63430271
2-[2-chloro-2-(5-methylthiophen-2-yl)ethyl]-3-methylpyridine
CID 66460200
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448627
1-(1-chloro-3,3-dimethylbutyl)-2,4-dimethylbenzene
CID 63430059
2-[2-(4-butoxyphenyl)-2-chloroethyl]-3-methylpyridine
CID 66459992

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine?
The IUPAC name of 2-[2-chloro-2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine (CID 66460202) is 2-[2-chloro-2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine.
What is the SMILES notation for 2-[2-chloro-2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine?
The canonical SMILES for 2-[2-chloro-2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine is Cc1ccc(C(Cl)Cc2ncccc2C)c(C)c1.
What is the InChIKey of 2-[2-chloro-2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine?
The InChIKey is HUMVYIYLLPGELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-11-6-7-14(13(3)9-11)15(17)10-16-12(2)5-4-8-18-16/h4-9,15H,10H2,1-3H3.
What are the key properties of 2-[2-chloro-2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine?
2-[2-chloro-2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine has a molecular weight of 259.78 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine is sourced from PubChem (CID 66460202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).