N-[[4-(4-chlorophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methyl]-N-ethylethanamine

C19H25ClN2S — CID 13210733

IUPACN-[[4-(4-chlorophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1cc2c(s1)CN(C)CC2c1ccc(Cl)cc1
InChIInChI=1S/C19H25ClN2S/c1-4-22(5-2)11-16-10-17-18(12-21(3)13-19(17)23-16)14-6-8-15(20)9-7-14/h6-10,18H,4-5,11-13H2,1-3H3
InChIKeyQHMBOWSIQURSSE-UHFFFAOYSA-N
MW348.94 g/mol
LogP4.82
Rot. Bonds5

About N-[[4-(4-chlorophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methyl]-N-ethylethanamine

N-[[4-(4-chlorophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methyl]-N-ethylethanamine (PubChem CID 13210733) has the molecular formula C19H25ClN2S and a molecular weight of 348.94 g/mol. Its IUPAC name is N-[[4-(4-chlorophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[4-(4-chlorophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methyl]-N-ethylethanamine
PubChem CID13210733
Molecular FormulaC19H25ClN2S
Molecular Weight348.94 g/mol
Exact Mass348.14
IUPAC NameN-[[4-(4-chlorophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1cc2c(s1)CN(C)CC2c1ccc(Cl)cc1
InChIInChI=1S/C19H25ClN2S/c1-4-22(5-2)11-16-10-17-18(12-21(3)13-19(17)23-16)14-6-8-15(20)9-7-14/h6-10,18H,4-5,11-13H2,1-3H3
InChIKeyQHMBOWSIQURSSE-UHFFFAOYSA-N
XLogP4.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.94
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)methanol
CID 13210741
2-bromo-6-methyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54587608
2-chloro-4-(3,4-dimethoxyphenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 21162131
1-[4-(3,4-dichlorophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-N-hexylmethanimine
CID 57035073
(4S)-4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-furo[2,3-h]isoquinoline
CID 11493122
4-(2-fluoro-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)benzene-1,2-diol;hydrochloride
CID 21162134
1-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1,3,3-trimethylurea
CID 22386870
6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline;ethane
CID 142248458
(4S)-7-chloro-4-(2-ethylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 155698350
6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 172804184
N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]ethanesulfonamide;iodomethane
CID 158219395
4-(4-chlorophenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine
CID 15981916

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[4-(4-chlorophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methyl]-N-ethylethanamine (CID 13210733) is N-[[4-(4-chlorophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[4-(4-chlorophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[4-(4-chlorophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methyl]-N-ethylethanamine is CCN(CC)Cc1cc2c(s1)CN(C)CC2c1ccc(Cl)cc1.
What is the InChIKey of N-[[4-(4-chlorophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methyl]-N-ethylethanamine?
The InChIKey is QHMBOWSIQURSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2S/c1-4-22(5-2)11-16-10-17-18(12-21(3)13-19(17)23-16)14-6-8-15(20)9-7-14/h6-10,18H,4-5,11-13H2,1-3H3.
What are the key properties of N-[[4-(4-chlorophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methyl]-N-ethylethanamine?
N-[[4-(4-chlorophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methyl]-N-ethylethanamine has a molecular weight of 348.94 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methyl]-N-ethylethanamine is sourced from PubChem (CID 13210733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).