4-(4-bromophenyl)-6-methyl-2-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride

C17H21BrClNS — CID 54587606

IUPAC4-(4-bromophenyl)-6-methyl-2-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
SMILESCCCc1cc2c(s1)CN(C)CC2c1ccc(Br)cc1.Cl
InChIInChI=1S/C17H20BrNS.ClH/c1-3-4-14-9-15-16(10-19(2)11-17(15)20-14)12-5-7-13(18)8-6-12;/h5-9,16H,3-4,10-11H2,1-2H3;1H
InChIKeyJYYVCBZIGJGYHG-UHFFFAOYSA-N
MW386.79 g/mol
LogP5.46
Rot. Bonds3

About 4-(4-bromophenyl)-6-methyl-2-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride

4-(4-bromophenyl)-6-methyl-2-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride (PubChem CID 54587606) has the molecular formula C17H21BrClNS and a molecular weight of 386.79 g/mol. Its IUPAC name is 4-(4-bromophenyl)-6-methyl-2-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name4-(4-bromophenyl)-6-methyl-2-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
PubChem CID54587606
Molecular FormulaC17H21BrClNS
Molecular Weight386.79 g/mol
Exact Mass385.03
IUPAC Name4-(4-bromophenyl)-6-methyl-2-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
SMILESCCCc1cc2c(s1)CN(C)CC2c1ccc(Br)cc1.Cl
InChIInChI=1S/C17H20BrNS.ClH/c1-3-4-14-9-15-16(10-19(2)11-17(15)20-14)12-5-7-13(18)8-6-12;/h5-9,16H,3-4,10-11H2,1-2H3;1H
InChIKeyJYYVCBZIGJGYHG-UHFFFAOYSA-N
XLogP5.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.79
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine
CID 13210728
2,6-Dimethyl-4-(p-bromophenyl)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine hydrochloride
CID 20546707
2-Methyl-4-(p-bromophenyl)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine hydrochloride
CID 20546729
1-{[5-(4-Bromophenyl)thiophen-2-yl]methyl}piperazine
CID 42951112
4-(4-fluorophenyl)-6-methyl-2-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54581760
4-(4-bromophenyl)-2-chloro-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54584660
2,6-diethyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54584689
2,6-dimethyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54586592
2-bromo-6-methyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54587608
2-bromo-4-(4-bromophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
CID 20546719
2,6-Dimethyl-3-bromo-4-(p-bromophenyl)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine hydrochloride
CID 20546728
1-[1-[2-(3,4-dibromophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 168280931

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-6-methyl-2-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The IUPAC name of 4-(4-bromophenyl)-6-methyl-2-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride (CID 54587606) is 4-(4-bromophenyl)-6-methyl-2-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride.
What is the SMILES notation for 4-(4-bromophenyl)-6-methyl-2-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The canonical SMILES for 4-(4-bromophenyl)-6-methyl-2-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride is CCCc1cc2c(s1)CN(C)CC2c1ccc(Br)cc1.Cl.
What is the InChIKey of 4-(4-bromophenyl)-6-methyl-2-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The InChIKey is JYYVCBZIGJGYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNS.ClH/c1-3-4-14-9-15-16(10-19(2)11-17(15)20-14)12-5-7-13(18)8-6-12;/h5-9,16H,3-4,10-11H2,1-2H3;1H.
What are the key properties of 4-(4-bromophenyl)-6-methyl-2-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
4-(4-bromophenyl)-6-methyl-2-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride has a molecular weight of 386.79 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-6-methyl-2-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride is sourced from PubChem (CID 54587606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).