1-[2-(3,4-dimethylphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride

C22H25ClF3N — CID 19350858

IUPAC1-[2-(3,4-dimethylphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride
SMILESCc1ccc(CCN2CC=C(c3cccc(C(F)(F)F)c3)CC2)cc1C.Cl
InChIInChI=1S/C22H24F3N.ClH/c1-16-6-7-18(14-17(16)2)8-11-26-12-9-19(10-13-26)20-4-3-5-21(15-20)22(23,24)25;/h3-7,9,14-15H,8,10-13H2,1-2H3;1H
InChIKeyWUNYSOMLQJNTGG-UHFFFAOYSA-N
MW395.90 g/mol
LogP6.08
Rot. Bonds4

About 1-[2-(3,4-dimethylphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride

1-[2-(3,4-dimethylphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride (PubChem CID 19350858) has the molecular formula C22H25ClF3N and a molecular weight of 395.90 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride.

Molecular Properties

Compound Name1-[2-(3,4-dimethylphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride
PubChem CID19350858
Molecular FormulaC22H25ClF3N
Molecular Weight395.90 g/mol
Exact Mass395.16
IUPAC Name1-[2-(3,4-dimethylphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride
SMILESCc1ccc(CCN2CC=C(c3cccc(C(F)(F)F)c3)CC2)cc1C.Cl
InChIInChI=1S/C22H24F3N.ClH/c1-16-6-7-18(14-17(16)2)8-11-26-12-9-19(10-13-26)20-4-3-5-21(15-20)22(23,24)25;/h3-7,9,14-15H,8,10-13H2,1-2H3;1H
InChIKeyWUNYSOMLQJNTGG-UHFFFAOYSA-N
XLogP6.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.90
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(3-methylphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
CID 142244772
1-[2-(6,7-dimethoxynaphthalen-2-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride
CID 19962077
1-[2-[4-(4-chlorophenyl)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
CID 19612154
1-[2-[4-(4-methoxyphenyl)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
CID 23435945
1-[2-(4-butoxyphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride
CID 70077325
1-[2-(1-benzothiophen-6-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
CID 23438895
1-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propan-2-one
CID 15916641
4-[3-(1,1-difluoroethyl)phenyl]-1-(2-naphthalen-1-ylethyl)-3,6-dihydro-2H-pyridine
CID 142809796
3-[4-methyl-5-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine
CID 10297326
1-[2-(2,3-dihydro-1H-cyclopenta[b]naphthalen-6-yl)ethyl]-4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine
CID 59654337
3-[4-methyl-5-[3-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propylsulfanyl]-1,2,4-triazol-3-yl]pyridine
CID 10226421
2,2-dimethyl-1-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 57336606

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride?
The IUPAC name of 1-[2-(3,4-dimethylphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride (CID 19350858) is 1-[2-(3,4-dimethylphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride.
What is the SMILES notation for 1-[2-(3,4-dimethylphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride?
The canonical SMILES for 1-[2-(3,4-dimethylphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride is Cc1ccc(CCN2CC=C(c3cccc(C(F)(F)F)c3)CC2)cc1C.Cl.
What is the InChIKey of 1-[2-(3,4-dimethylphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride?
The InChIKey is WUNYSOMLQJNTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N.ClH/c1-16-6-7-18(14-17(16)2)8-11-26-12-9-19(10-13-26)20-4-3-5-21(15-20)22(23,24)25;/h3-7,9,14-15H,8,10-13H2,1-2H3;1H.
What are the key properties of 1-[2-(3,4-dimethylphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride?
1-[2-(3,4-dimethylphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride has a molecular weight of 395.90 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride is sourced from PubChem (CID 19350858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).