4-methyl-2-phenyl-5-(trideuteriomethyl)-3,4-dihydropyridine

C13H15N — CID 158371813

IUPAC4-methyl-2-phenyl-5-(trideuteriomethyl)-3,4-dihydropyridine
SMILES[2H]C([2H])([2H])C1=CN=C(c2ccccc2)CC1C
InChIInChI=1S/C13H15N/c1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3/i2D3
InChIKeyRNYJSFNJKMVADG-BMSJAHLVSA-N
MW188.29 g/mol
LogP3.42
Rot. Bonds2

About 4-methyl-2-phenyl-5-(trideuteriomethyl)-3,4-dihydropyridine

4-methyl-2-phenyl-5-(trideuteriomethyl)-3,4-dihydropyridine (PubChem CID 158371813) has the molecular formula C13H15N and a molecular weight of 188.29 g/mol. Its IUPAC name is 4-methyl-2-phenyl-5-(trideuteriomethyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name4-methyl-2-phenyl-5-(trideuteriomethyl)-3,4-dihydropyridine
PubChem CID158371813
Molecular FormulaC13H15N
Molecular Weight188.29 g/mol
Exact Mass188.14
IUPAC Name4-methyl-2-phenyl-5-(trideuteriomethyl)-3,4-dihydropyridine
SMILES[2H]C([2H])([2H])C1=CN=C(c2ccccc2)CC1C
InChIInChI=1S/C13H15N/c1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3/i2D3
InChIKeyRNYJSFNJKMVADG-BMSJAHLVSA-N
XLogP3.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]-3,4-dihydropyridine
CID 157279403
5-(4-fluorophenyl)-4-methyl-2-phenyl-3,4-dihydropyridine
CID 140708544
(5S)-5-methyl-3-phenyl-4,5-dihydro-1H-pyridazin-6-one
CID 11159775
2,5-diphenyl-3,4-dihydropyridine;ethane;methane
CID 142821130
(2S)-2-methyl-6-phenyl-2,3,4,5-tetrahydropyridine
CID 102451598
6,6-dimethyl-3-phenyl-1,2-diazabicyclo[3.1.0]hex-2-ene
CID 13069053
(1R)-1-(2-phenyl-4,5-dihydro-3H-azepin-6-yl)ethanamine
CID 170789927
2-phenyl-3H-pyrrole
CID 21043650
(4-methylcyclobuten-1-yl)benzene
CID 173414108
2,3-dimethyl-5,7-diphenyl-6H-1,4-diazepine
CID 71375212
1,1'-biphenyl;2-methyloxirane
CID 87315109
(4R)-4-methyl-3-phenylcyclopent-2-en-1-one
CID 100920328

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-5-(trideuteriomethyl)-3,4-dihydropyridine?
The IUPAC name of 4-methyl-2-phenyl-5-(trideuteriomethyl)-3,4-dihydropyridine (CID 158371813) is 4-methyl-2-phenyl-5-(trideuteriomethyl)-3,4-dihydropyridine.
What is the SMILES notation for 4-methyl-2-phenyl-5-(trideuteriomethyl)-3,4-dihydropyridine?
The canonical SMILES for 4-methyl-2-phenyl-5-(trideuteriomethyl)-3,4-dihydropyridine is [2H]C([2H])([2H])C1=CN=C(c2ccccc2)CC1C.
What is the InChIKey of 4-methyl-2-phenyl-5-(trideuteriomethyl)-3,4-dihydropyridine?
The InChIKey is RNYJSFNJKMVADG-BMSJAHLVSA-N. The full InChI is InChI=1S/C13H15N/c1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3/i2D3.
What are the key properties of 4-methyl-2-phenyl-5-(trideuteriomethyl)-3,4-dihydropyridine?
4-methyl-2-phenyl-5-(trideuteriomethyl)-3,4-dihydropyridine has a molecular weight of 188.29 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-5-(trideuteriomethyl)-3,4-dihydropyridine is sourced from PubChem (CID 158371813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).