1-(3-ethylthiophen-2-yl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine

C17H22N2S — CID 105007315

IUPAC1-(3-ethylthiophen-2-yl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
SMILESCCc1ccsc1C(NC)C1CCCc2cccnc21
InChIInChI=1S/C17H22N2S/c1-3-12-9-11-20-17(12)16(18-2)14-8-4-6-13-7-5-10-19-15(13)14/h5,7,9-11,14,16,18H,3-4,6,8H2,1-2H3
InChIKeyDNCHCDRJPDQJNH-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.09
Rot. Bonds4

About 1-(3-ethylthiophen-2-yl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine

1-(3-ethylthiophen-2-yl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine (PubChem CID 105007315) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-(3-ethylthiophen-2-yl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine.

Molecular Properties

Compound Name1-(3-ethylthiophen-2-yl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
PubChem CID105007315
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name1-(3-ethylthiophen-2-yl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
SMILESCCc1ccsc1C(NC)C1CCCc2cccnc21
InChIInChI=1S/C17H22N2S/c1-3-12-9-11-20-17(12)16(18-2)14-8-4-6-13-7-5-10-19-15(13)14/h5,7,9-11,14,16,18H,3-4,6,8H2,1-2H3
InChIKeyDNCHCDRJPDQJNH-UHFFFAOYSA-N
XLogP4.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-ethylthiophen-2-yl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine with MolForge

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Related Compounds

N-methyl-1-(3-methylthiophen-2-yl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105007432
N-[5,6,7,8-tetrahydroquinolin-8-yl(thiophen-2-yl)methyl]ethanamine
CID 79745697
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748588
N-methyl-1-(2-methyl-3-pyridinyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105164680
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105164771
1-(furan-3-yl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79748617
1-(3-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79748499
1-(5-fluoro-2-pyridinyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79748410
1-(3-bromo-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105007411
1-(3-bromo-5-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 107946281
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)pentan-1-amine
CID 79748892
1-(2,6-dimethyl-3-pyridinyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105164715

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylthiophen-2-yl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The IUPAC name of 1-(3-ethylthiophen-2-yl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine (CID 105007315) is 1-(3-ethylthiophen-2-yl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine.
What is the SMILES notation for 1-(3-ethylthiophen-2-yl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The canonical SMILES for 1-(3-ethylthiophen-2-yl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine is CCc1ccsc1C(NC)C1CCCc2cccnc21.
What is the InChIKey of 1-(3-ethylthiophen-2-yl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The InChIKey is DNCHCDRJPDQJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-3-12-9-11-20-17(12)16(18-2)14-8-4-6-13-7-5-10-19-15(13)14/h5,7,9-11,14,16,18H,3-4,6,8H2,1-2H3.
What are the key properties of 1-(3-ethylthiophen-2-yl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
1-(3-ethylthiophen-2-yl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine has a molecular weight of 286.44 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylthiophen-2-yl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine is sourced from PubChem (CID 105007315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).