2,6-dimethyl-4-phenyl-3,4-dihydropyridine

C13H15N — CID 57025415

IUPAC2,6-dimethyl-4-phenyl-3,4-dihydropyridine
SMILESCC1=CC(c2ccccc2)CC(C)=N1
InChIInChI=1S/C13H15N/c1-10-8-13(9-11(2)14-10)12-6-4-3-5-7-12/h3-8,13H,9H2,1-2H3
InChIKeySRGHFGWMGSUFIM-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.54
Rot. Bonds1

About 2,6-dimethyl-4-phenyl-3,4-dihydropyridine

2,6-dimethyl-4-phenyl-3,4-dihydropyridine (PubChem CID 57025415) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 2,6-dimethyl-4-phenyl-3,4-dihydropyridine.

Molecular Properties

Compound Name2,6-dimethyl-4-phenyl-3,4-dihydropyridine
PubChem CID57025415
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name2,6-dimethyl-4-phenyl-3,4-dihydropyridine
SMILESCC1=CC(c2ccccc2)CC(C)=N1
InChIInChI=1S/C13H15N/c1-10-8-13(9-11(2)14-10)12-6-4-3-5-7-12/h3-8,13H,9H2,1-2H3
InChIKeySRGHFGWMGSUFIM-UHFFFAOYSA-N
XLogP3.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 163813162
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2,4-diphenylcyclopent-2-en-1-one
CID 14147527
4-methyl-2-phenyl-2,3-dihydro-1,5-benzothiazepine
CID 11391140
2-methyl-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazole
CID 15111818
4-methyl-6-phenyl-6H-1,3-thiazin-2-amine
CID 45096900
(4R)-4-phenyl-4,5-dihydro-1,2-oxazole
CID 140967269
(3R)-5-methyl-2,3-diphenyl-3,4-dihydropyrazole
CID 684236
5-methyl-2,2,3-triphenyl-3,4-dihydropyrrole
CID 101067448
1-[(2Z,4Z)-hexa-2,4-dien-3-yl]-3-methyl-5-phenylcyclohexa-1,3-diene
CID 145129881
(4R)-2-butyl-4-phenylcyclopent-2-en-1-one
CID 11608201
(4-phenylcyclopenta-1,2-dien-1-yl)benzene
CID 57222189

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-phenyl-3,4-dihydropyridine?
The IUPAC name of 2,6-dimethyl-4-phenyl-3,4-dihydropyridine (CID 57025415) is 2,6-dimethyl-4-phenyl-3,4-dihydropyridine.
What is the SMILES notation for 2,6-dimethyl-4-phenyl-3,4-dihydropyridine?
The canonical SMILES for 2,6-dimethyl-4-phenyl-3,4-dihydropyridine is CC1=CC(c2ccccc2)CC(C)=N1.
What is the InChIKey of 2,6-dimethyl-4-phenyl-3,4-dihydropyridine?
The InChIKey is SRGHFGWMGSUFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-10-8-13(9-11(2)14-10)12-6-4-3-5-7-12/h3-8,13H,9H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-phenyl-3,4-dihydropyridine?
2,6-dimethyl-4-phenyl-3,4-dihydropyridine has a molecular weight of 185.27 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-phenyl-3,4-dihydropyridine is sourced from PubChem (CID 57025415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).