N-[(4,5-dimethylthiophen-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine

C18H24N2S — CID 105007293

IUPACN-[(4,5-dimethylthiophen-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)c(C)s1)C1CCCc2cccnc21
InChIInChI=1S/C18H24N2S/c1-4-19-18(16-11-12(2)13(3)21-16)15-9-5-7-14-8-6-10-20-17(14)15/h6,8,10-11,15,18-19H,4-5,7,9H2,1-3H3
InChIKeyQGXAEUQVPZHRJB-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.53
Rot. Bonds4

About N-[(4,5-dimethylthiophen-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine

N-[(4,5-dimethylthiophen-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine (PubChem CID 105007293) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
PubChem CID105007293
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)c(C)s1)C1CCCc2cccnc21
InChIInChI=1S/C18H24N2S/c1-4-19-18(16-11-12(2)13(3)21-16)15-9-5-7-14-8-6-10-20-17(14)15/h6,8,10-11,15,18-19H,4-5,7,9H2,1-3H3
InChIKeyQGXAEUQVPZHRJB-UHFFFAOYSA-N
XLogP4.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4,5-dimethylthiophen-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[5,6,7,8-tetrahydroquinolin-8-yl(thiophen-2-yl)methyl]ethanamine
CID 79745697
N-[5,6,7,8-tetrahydroquinolin-8-yl(thiadiazol-4-yl)methyl]ethanamine
CID 105164757
N-[(5-bromofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
CID 105007431
N-[(3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
CID 105164741
N-ethyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)pentan-2-amine
CID 79738096
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methylphenyl)methyl]ethanamine
CID 79748587
1-(3-bromo-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105007411
N-methyl-1-(3-methylthiophen-2-yl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105007432
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 105009812
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(pyrimidin-5-yl)methyl]ethanamine
CID 102923636
N-[oxan-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
CID 105007360
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748588

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine (CID 105007293) is N-[(4,5-dimethylthiophen-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine is CCNC(c1cc(C)c(C)s1)C1CCCc2cccnc21.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine?
The InChIKey is QGXAEUQVPZHRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-4-19-18(16-11-12(2)13(3)21-16)15-9-5-7-14-8-6-10-20-17(14)15/h6,8,10-11,15,18-19H,4-5,7,9H2,1-3H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine?
N-[(4,5-dimethylthiophen-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine has a molecular weight of 300.47 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine is sourced from PubChem (CID 105007293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).