2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride

C16H17ClF3NS — CID 54584663

IUPAC2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
SMILESCc1cc2c(s1)CN(C)CC2c1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C16H16F3NS.ClH/c1-10-7-13-14(8-20(2)9-15(13)21-10)11-3-5-12(6-4-11)16(17,18)19;/h3-7,14H,8-9H2,1-2H3;1H
InChIKeyGEVYQXLOFQURRH-UHFFFAOYSA-N
MW347.83 g/mol
LogP5.07
Rot. Bonds1

About 2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride

2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride (PubChem CID 54584663) has the molecular formula C16H17ClF3NS and a molecular weight of 347.83 g/mol. Its IUPAC name is 2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
PubChem CID54584663
Molecular FormulaC16H17ClF3NS
Molecular Weight347.83 g/mol
Exact Mass347.07
IUPAC Name2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
SMILESCc1cc2c(s1)CN(C)CC2c1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C16H16F3NS.ClH/c1-10-7-13-14(8-20(2)9-15(13)21-10)11-3-5-12(6-4-11)16(17,18)19;/h3-7,14H,8-9H2,1-2H3;1H
InChIKeyGEVYQXLOFQURRH-UHFFFAOYSA-N
XLogP5.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.83
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride with MolForge

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Related Compounds

5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 3041293
2-(4-(propan-2-yl)phenyl)-2-(4H,5H,6H,7H-thieno(3,2-c)pyridin-5-yl)ethan-1-amine
CID 43180384
CID 15945777
CID 15945777
3-ethyl-6-[(2-fluorophenyl)methyl]-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
CID 16028485
4-(4-fluorophenyl)-6-methyl-2-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54581760
2,6-diethyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54584689
(4S,9aS)-4-phenyl-4,5,7,8,9,9a-hexahydrothieno[2,3-g]indolizine;hydrobromide
CID 54584696
2,6-dimethyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54586592
4-(4-bromophenyl)-6-methyl-2-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54587606
2-chloro-6-methyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54587607
2-bromo-6-methyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54587608
(E)-N-(1-benzothiophen-2-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine;hydrochloride
CID 137649673

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The IUPAC name of 2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride (CID 54584663) is 2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride.
What is the SMILES notation for 2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The canonical SMILES for 2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride is Cc1cc2c(s1)CN(C)CC2c1ccc(C(F)(F)F)cc1.Cl.
What is the InChIKey of 2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The InChIKey is GEVYQXLOFQURRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NS.ClH/c1-10-7-13-14(8-20(2)9-15(13)21-10)11-3-5-12(6-4-11)16(17,18)19;/h3-7,14H,8-9H2,1-2H3;1H.
What are the key properties of 2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride has a molecular weight of 347.83 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride is sourced from PubChem (CID 54584663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).