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

C18H24ClNO2S — CID 11245156

IUPAC7-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
SMILESCOc1ccc(CC2c3sc(C)cc3CCN2C)cc1OC.Cl
InChIInChI=1S/C18H23NO2S.ClH/c1-12-9-14-7-8-19(2)15(18(14)22-12)10-13-5-6-16(20-3)17(11-13)21-4;/h5-6,9,11,15H,7-8,10H2,1-4H3;1H
InChIKeyCGIIOGVSIZBAHQ-UHFFFAOYSA-N
MW353.92 g/mol
LogP4.27
Rot. Bonds4

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

7-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride (PubChem CID 11245156) has the molecular formula C18H24ClNO2S and a molecular weight of 353.92 g/mol. Its IUPAC name is 7-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name7-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
PubChem CID11245156
Molecular FormulaC18H24ClNO2S
Molecular Weight353.92 g/mol
Exact Mass353.12
IUPAC Name7-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
SMILESCOc1ccc(CC2c3sc(C)cc3CCN2C)cc1OC.Cl
InChIInChI=1S/C18H23NO2S.ClH/c1-12-9-14-7-8-19(2)15(18(14)22-12)10-13-5-6-16(20-3)17(11-13)21-4;/h5-6,9,11,15H,7-8,10H2,1-4H3;1H
InChIKeyCGIIOGVSIZBAHQ-UHFFFAOYSA-N
XLogP4.27
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.92
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

1'-(2,3-Dihydro-1,4-benzodioxin-6-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 70689288
1-[4-(4-Methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-yl]ethan-1-one
CID 2739545
2-(3,4-dimethoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine;hydrochloride
CID 2976026
[2-(3,4-Dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amine hydrochloride
CID 6458577
N-[2-[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;hydrochloride
CID 18986848
(1S)-5-methoxy-14-(2-methylpropyl)-15-thia-10-azatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-4-ol
CID 72699716
(1S)-5-methoxy-14-pentyl-15-thia-10-azatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-4-ol
CID 72699717
(1S)-14-(cyclobutylmethyl)-5-methoxy-15-thia-10-azatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-4-ol
CID 72699718
(1S)-14-ethyl-5-methoxy-15-thia-10-azatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-4-ol
CID 72699812
(1S)-5-methoxy-14-(3-methylbutyl)-15-thia-10-azatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-4-ol
CID 72699813
(1S)-14-(2-chloroethyl)-5-methoxy-15-thia-10-azatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-4-ol
CID 72699815
(1S)-5-methoxy-14-propyl-15-thia-10-azatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-4-ol
CID 72699816

Frequently Asked Questions

What is the IUPAC name of 7-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The IUPAC name of 7-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride (CID 11245156) is 7-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride.
What is the SMILES notation for 7-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The canonical SMILES for 7-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride is COc1ccc(CC2c3sc(C)cc3CCN2C)cc1OC.Cl.
What is the InChIKey of 7-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The InChIKey is CGIIOGVSIZBAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2S.ClH/c1-12-9-14-7-8-19(2)15(18(14)22-12)10-13-5-6-16(20-3)17(11-13)21-4;/h5-6,9,11,15H,7-8,10H2,1-4H3;1H.
What are the key properties of 7-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
7-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride has a molecular weight of 353.92 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride is sourced from PubChem (CID 11245156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).