2,4,5-trimethyl-3-phenylmethoxy-1,4-dihydropyridine

C15H19NO — CID 130303641

IUPAC2,4,5-trimethyl-3-phenylmethoxy-1,4-dihydropyridine
SMILESCC1=CNC(C)=C(OCc2ccccc2)C1C
InChIInChI=1S/C15H19NO/c1-11-9-16-13(3)15(12(11)2)17-10-14-7-5-4-6-8-14/h4-9,12,16H,10H2,1-3H3
InChIKeyPTOYRANDXMFOPC-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.58
Rot. Bonds3

About 2,4,5-trimethyl-3-phenylmethoxy-1,4-dihydropyridine

2,4,5-trimethyl-3-phenylmethoxy-1,4-dihydropyridine (PubChem CID 130303641) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2,4,5-trimethyl-3-phenylmethoxy-1,4-dihydropyridine.

Molecular Properties

Compound Name2,4,5-trimethyl-3-phenylmethoxy-1,4-dihydropyridine
PubChem CID130303641
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2,4,5-trimethyl-3-phenylmethoxy-1,4-dihydropyridine
SMILESCC1=CNC(C)=C(OCc2ccccc2)C1C
InChIInChI=1S/C15H19NO/c1-11-9-16-13(3)15(12(11)2)17-10-14-7-5-4-6-8-14/h4-9,12,16H,10H2,1-3H3
InChIKeyPTOYRANDXMFOPC-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-3-phenylmethoxy-1,4-dihydropyridine?
The IUPAC name of 2,4,5-trimethyl-3-phenylmethoxy-1,4-dihydropyridine (CID 130303641) is 2,4,5-trimethyl-3-phenylmethoxy-1,4-dihydropyridine.
What is the SMILES notation for 2,4,5-trimethyl-3-phenylmethoxy-1,4-dihydropyridine?
The canonical SMILES for 2,4,5-trimethyl-3-phenylmethoxy-1,4-dihydropyridine is CC1=CNC(C)=C(OCc2ccccc2)C1C.
What is the InChIKey of 2,4,5-trimethyl-3-phenylmethoxy-1,4-dihydropyridine?
The InChIKey is PTOYRANDXMFOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-11-9-16-13(3)15(12(11)2)17-10-14-7-5-4-6-8-14/h4-9,12,16H,10H2,1-3H3.
What are the key properties of 2,4,5-trimethyl-3-phenylmethoxy-1,4-dihydropyridine?
2,4,5-trimethyl-3-phenylmethoxy-1,4-dihydropyridine has a molecular weight of 229.32 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-3-phenylmethoxy-1,4-dihydropyridine is sourced from PubChem (CID 130303641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).