3-methyl-2-[2-methyl-4-(5-phenylhexyl)phenyl]pyridine

C25H29N — CID 143032400

IUPAC3-methyl-2-[2-methyl-4-(5-phenylhexyl)phenyl]pyridine
SMILESCc1cc(CCCCC(C)c2ccccc2)ccc1-c1ncccc1C
InChIInChI=1S/C25H29N/c1-19(23-13-5-4-6-14-23)10-7-8-12-22-15-16-24(21(3)18-22)25-20(2)11-9-17-26-25/h4-6,9,11,13-19H,7-8,10,12H2,1-3H3
InChIKeyMQUMLFCGVBQDBU-UHFFFAOYSA-N
MW343.51 g/mol
LogP6.88
Rot. Bonds7

About 3-methyl-2-[2-methyl-4-(5-phenylhexyl)phenyl]pyridine

3-methyl-2-[2-methyl-4-(5-phenylhexyl)phenyl]pyridine (PubChem CID 143032400) has the molecular formula C25H29N and a molecular weight of 343.51 g/mol. Its IUPAC name is 3-methyl-2-[2-methyl-4-(5-phenylhexyl)phenyl]pyridine.

Molecular Properties

Compound Name3-methyl-2-[2-methyl-4-(5-phenylhexyl)phenyl]pyridine
PubChem CID143032400
Molecular FormulaC25H29N
Molecular Weight343.51 g/mol
Exact Mass343.23
IUPAC Name3-methyl-2-[2-methyl-4-(5-phenylhexyl)phenyl]pyridine
SMILESCc1cc(CCCCC(C)c2ccccc2)ccc1-c1ncccc1C
InChIInChI=1S/C25H29N/c1-19(23-13-5-4-6-14-23)10-7-8-12-22-15-16-24(21(3)18-22)25-20(2)11-9-17-26-25/h4-6,9,11,13-19H,7-8,10,12H2,1-3H3
InChIKeyMQUMLFCGVBQDBU-UHFFFAOYSA-N
XLogP6.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.51
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 5282443
(+-)-Dimethindene
CID 21855
Pheniramine
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Azatadine
CID 19861
Triprolidine Hydrochloride Anhydrous
CID 5702129
5-Ethyl-2-methylpyridine
CID 7728
Anabaseine
CID 18985
4-Phenylpyridine
CID 13651
4-Methylquinoline
CID 10285
Benzo(F)Quinoline
CID 6796
2-(3-Phenylpropyl)Pyridine
CID 459494
8-Methylquinoline
CID 11910

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-methyl-4-(5-phenylhexyl)phenyl]pyridine?
The IUPAC name of 3-methyl-2-[2-methyl-4-(5-phenylhexyl)phenyl]pyridine (CID 143032400) is 3-methyl-2-[2-methyl-4-(5-phenylhexyl)phenyl]pyridine.
What is the SMILES notation for 3-methyl-2-[2-methyl-4-(5-phenylhexyl)phenyl]pyridine?
The canonical SMILES for 3-methyl-2-[2-methyl-4-(5-phenylhexyl)phenyl]pyridine is Cc1cc(CCCCC(C)c2ccccc2)ccc1-c1ncccc1C.
What is the InChIKey of 3-methyl-2-[2-methyl-4-(5-phenylhexyl)phenyl]pyridine?
The InChIKey is MQUMLFCGVBQDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N/c1-19(23-13-5-4-6-14-23)10-7-8-12-22-15-16-24(21(3)18-22)25-20(2)11-9-17-26-25/h4-6,9,11,13-19H,7-8,10,12H2,1-3H3.
What are the key properties of 3-methyl-2-[2-methyl-4-(5-phenylhexyl)phenyl]pyridine?
3-methyl-2-[2-methyl-4-(5-phenylhexyl)phenyl]pyridine has a molecular weight of 343.51 g/mol, XLogP of 6.88, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-methyl-4-(5-phenylhexyl)phenyl]pyridine is sourced from PubChem (CID 143032400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).