6-(2-chlorophenyl)-5,5-dimethyl-3,4-dihydro-2H-pyridine;6-(2-chlorophenyl)-2,3,4,5-tetrahydropyridine

C24H28Cl2N2 — CID 158501500

IUPAC6-(2-chlorophenyl)-5,5-dimethyl-3,4-dihydro-2H-pyridine;6-(2-chlorophenyl)-2,3,4,5-tetrahydropyridine
SMILESCC1(C)CCCN=C1c1ccccc1Cl.Clc1ccccc1C1=NCCCC1
InChIInChI=1S/C13H16ClN.C11H12ClN/c1-13(2)8-5-9-15-12(13)10-6-3-4-7-11(10)14;12-10-6-2-1-5-9(10)11-7-3-4-8-13-11/h3-4,6-7H,5,8-9H2,1-2H3;1-2,5-6H,3-4,7-8H2
InChIKeyHJYILBDCIMNXMK-UHFFFAOYSA-N
MW415.41 g/mol
LogP7.26
Rot. Bonds2

About 6-(2-chlorophenyl)-5,5-dimethyl-3,4-dihydro-2H-pyridine;6-(2-chlorophenyl)-2,3,4,5-tetrahydropyridine

6-(2-chlorophenyl)-5,5-dimethyl-3,4-dihydro-2H-pyridine;6-(2-chlorophenyl)-2,3,4,5-tetrahydropyridine (PubChem CID 158501500) has the molecular formula C24H28Cl2N2 and a molecular weight of 415.41 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-5,5-dimethyl-3,4-dihydro-2H-pyridine;6-(2-chlorophenyl)-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-(2-chlorophenyl)-5,5-dimethyl-3,4-dihydro-2H-pyridine;6-(2-chlorophenyl)-2,3,4,5-tetrahydropyridine
PubChem CID158501500
Molecular FormulaC24H28Cl2N2
Molecular Weight415.41 g/mol
Exact Mass414.16
IUPAC Name6-(2-chlorophenyl)-5,5-dimethyl-3,4-dihydro-2H-pyridine;6-(2-chlorophenyl)-2,3,4,5-tetrahydropyridine
SMILESCC1(C)CCCN=C1c1ccccc1Cl.Clc1ccccc1C1=NCCCC1
InChIInChI=1S/C13H16ClN.C11H12ClN/c1-13(2)8-5-9-15-12(13)10-6-3-4-7-11(10)14;12-10-6-2-1-5-9(10)11-7-3-4-8-13-11/h3-4,6-7H,5,8-9H2,1-2H3;1-2,5-6H,3-4,7-8H2
InChIKeyHJYILBDCIMNXMK-UHFFFAOYSA-N
XLogP7.26
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.41
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-5,5-dimethyl-3,4-dihydro-2H-pyridine;6-(2-chlorophenyl)-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-(2-chlorophenyl)-5,5-dimethyl-3,4-dihydro-2H-pyridine;6-(2-chlorophenyl)-2,3,4,5-tetrahydropyridine (CID 158501500) is 6-(2-chlorophenyl)-5,5-dimethyl-3,4-dihydro-2H-pyridine;6-(2-chlorophenyl)-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-(2-chlorophenyl)-5,5-dimethyl-3,4-dihydro-2H-pyridine;6-(2-chlorophenyl)-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-(2-chlorophenyl)-5,5-dimethyl-3,4-dihydro-2H-pyridine;6-(2-chlorophenyl)-2,3,4,5-tetrahydropyridine is CC1(C)CCCN=C1c1ccccc1Cl.Clc1ccccc1C1=NCCCC1.
What is the InChIKey of 6-(2-chlorophenyl)-5,5-dimethyl-3,4-dihydro-2H-pyridine;6-(2-chlorophenyl)-2,3,4,5-tetrahydropyridine?
The InChIKey is HJYILBDCIMNXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN.C11H12ClN/c1-13(2)8-5-9-15-12(13)10-6-3-4-7-11(10)14;12-10-6-2-1-5-9(10)11-7-3-4-8-13-11/h3-4,6-7H,5,8-9H2,1-2H3;1-2,5-6H,3-4,7-8H2.
What are the key properties of 6-(2-chlorophenyl)-5,5-dimethyl-3,4-dihydro-2H-pyridine;6-(2-chlorophenyl)-2,3,4,5-tetrahydropyridine?
6-(2-chlorophenyl)-5,5-dimethyl-3,4-dihydro-2H-pyridine;6-(2-chlorophenyl)-2,3,4,5-tetrahydropyridine has a molecular weight of 415.41 g/mol, XLogP of 7.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-5,5-dimethyl-3,4-dihydro-2H-pyridine;6-(2-chlorophenyl)-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 158501500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).