4-[1-chloro-1-(3-methylphenyl)propan-2-yl]pyridine

C15H16ClN — CID 66459346

IUPAC4-[1-chloro-1-(3-methylphenyl)propan-2-yl]pyridine
SMILESCc1cccc(C(Cl)C(C)c2ccncc2)c1
InChIInChI=1S/C15H16ClN/c1-11-4-3-5-14(10-11)15(16)12(2)13-6-8-17-9-7-13/h3-10,12,15H,1-2H3
InChIKeySCQKAGGTHLTRIL-UHFFFAOYSA-N
MW245.75 g/mol
LogP4.47
Rot. Bonds3

About 4-[1-chloro-1-(3-methylphenyl)propan-2-yl]pyridine

4-[1-chloro-1-(3-methylphenyl)propan-2-yl]pyridine (PubChem CID 66459346) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is 4-[1-chloro-1-(3-methylphenyl)propan-2-yl]pyridine.

Molecular Properties

Compound Name4-[1-chloro-1-(3-methylphenyl)propan-2-yl]pyridine
PubChem CID66459346
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC Name4-[1-chloro-1-(3-methylphenyl)propan-2-yl]pyridine
SMILESCc1cccc(C(Cl)C(C)c2ccncc2)c1
InChIInChI=1S/C15H16ClN/c1-11-4-3-5-14(10-11)15(16)12(2)13-6-8-17-9-7-13/h3-10,12,15H,1-2H3
InChIKeySCQKAGGTHLTRIL-UHFFFAOYSA-N
XLogP4.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 54.47
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-(3-iodophenyl)propan-2-yl]pyridine
CID 66460565
4-[1-chloro-1-(2,5-dimethylphenyl)propan-2-yl]pyridine
CID 66458948
4-[1-chloro-1-(2,4-dimethylphenyl)propan-2-yl]pyridine
CID 66459967
4-[1-chloro-1-(5-methylfuran-3-yl)propan-2-yl]pyridine
CID 114823989
4-[1-(1,3-benzodioxol-5-yl)-1-chloropropan-2-yl]pyridine
CID 66461171
4-[1-(3-bromo-4-methoxyphenyl)-1-chloropropan-2-yl]pyridine
CID 66459760
CID 142381961
CID 142381961
[(1S)-1-(3-methylphenyl)ethyl]azanium chloride
CID 155931226
3-amino-2-(3-methylphenyl)-1-pyridin-4-ylpropan-1-ol
CID 65188105
ethane;1-methyl-3-propan-2-ylbenzene
CID 142020139
4-[1-chloro-1-(2,3-dimethoxyphenyl)propan-2-yl]pyridine
CID 66460366
4-[1-chloro-1-(2,6-difluoro-3-methylphenyl)propan-2-yl]pyridine
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Frequently Asked Questions

What is the IUPAC name of 4-[1-chloro-1-(3-methylphenyl)propan-2-yl]pyridine?
The IUPAC name of 4-[1-chloro-1-(3-methylphenyl)propan-2-yl]pyridine (CID 66459346) is 4-[1-chloro-1-(3-methylphenyl)propan-2-yl]pyridine.
What is the SMILES notation for 4-[1-chloro-1-(3-methylphenyl)propan-2-yl]pyridine?
The canonical SMILES for 4-[1-chloro-1-(3-methylphenyl)propan-2-yl]pyridine is Cc1cccc(C(Cl)C(C)c2ccncc2)c1.
What is the InChIKey of 4-[1-chloro-1-(3-methylphenyl)propan-2-yl]pyridine?
The InChIKey is SCQKAGGTHLTRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c1-11-4-3-5-14(10-11)15(16)12(2)13-6-8-17-9-7-13/h3-10,12,15H,1-2H3.
What are the key properties of 4-[1-chloro-1-(3-methylphenyl)propan-2-yl]pyridine?
4-[1-chloro-1-(3-methylphenyl)propan-2-yl]pyridine has a molecular weight of 245.75 g/mol, XLogP of 4.47, 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-(3-methylphenyl)propan-2-yl]pyridine is sourced from PubChem (CID 66459346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).