N-ethyl-1-(2-methylquinolin-4-yl)-2-thiophen-3-ylethanamine

C18H20N2S — CID 105137590

IUPACN-ethyl-1-(2-methylquinolin-4-yl)-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1cc(C)nc2ccccc12
InChIInChI=1S/C18H20N2S/c1-3-19-18(11-14-8-9-21-12-14)16-10-13(2)20-17-7-5-4-6-15(16)17/h4-10,12,18-19H,3,11H2,1-2H3
InChIKeyPOBKLAWXQYKHIR-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.50
Rot. Bonds5

About N-ethyl-1-(2-methylquinolin-4-yl)-2-thiophen-3-ylethanamine

N-ethyl-1-(2-methylquinolin-4-yl)-2-thiophen-3-ylethanamine (PubChem CID 105137590) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-ethyl-1-(2-methylquinolin-4-yl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-methylquinolin-4-yl)-2-thiophen-3-ylethanamine
PubChem CID105137590
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC NameN-ethyl-1-(2-methylquinolin-4-yl)-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1cc(C)nc2ccccc12
InChIInChI=1S/C18H20N2S/c1-3-19-18(11-14-8-9-21-12-14)16-10-13(2)20-17-7-5-4-6-15(16)17/h4-10,12,18-19H,3,11H2,1-2H3
InChIKeyPOBKLAWXQYKHIR-UHFFFAOYSA-N
XLogP4.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-isoquinolin-4-yl-2-thiophen-3-ylethanamine
CID 105147369
2-cyclopropyl-N-ethyl-1-(2-methylquinolin-4-yl)ethanamine
CID 105152893
N-ethyl-1-(2-iodophenyl)-2-thiophen-3-ylethanamine
CID 61078733
N-[(2-methylquinolin-4-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 105118995
N-methyl-1-(2-methylquinolin-4-yl)butan-1-amine
CID 105080240
1-[2-(difluoromethoxy)phenyl]-N-ethyl-2-thiophen-3-ylethanamine
CID 61078567
N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanamine
CID 102757512
N-ethyl-1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanamine
CID 114821235
1-(2-bromo-5-iodophenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 114027020
1-(2-bromo-5-chlorophenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 114027019
[1-(2-methylquinolin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316184
N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine
CID 61078915

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylquinolin-4-yl)-2-thiophen-3-ylethanamine?
The IUPAC name of N-ethyl-1-(2-methylquinolin-4-yl)-2-thiophen-3-ylethanamine (CID 105137590) is N-ethyl-1-(2-methylquinolin-4-yl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-ethyl-1-(2-methylquinolin-4-yl)-2-thiophen-3-ylethanamine?
The canonical SMILES for N-ethyl-1-(2-methylquinolin-4-yl)-2-thiophen-3-ylethanamine is CCNC(Cc1ccsc1)c1cc(C)nc2ccccc12.
What is the InChIKey of N-ethyl-1-(2-methylquinolin-4-yl)-2-thiophen-3-ylethanamine?
The InChIKey is POBKLAWXQYKHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-3-19-18(11-14-8-9-21-12-14)16-10-13(2)20-17-7-5-4-6-15(16)17/h4-10,12,18-19H,3,11H2,1-2H3.
What are the key properties of N-ethyl-1-(2-methylquinolin-4-yl)-2-thiophen-3-ylethanamine?
N-ethyl-1-(2-methylquinolin-4-yl)-2-thiophen-3-ylethanamine has a molecular weight of 296.44 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methylquinolin-4-yl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 105137590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).