N-[(4,5-dimethylthiophen-2-yl)-quinolin-5-ylmethyl]ethanamine

C18H20N2S — CID 105020108

IUPACN-[(4,5-dimethylthiophen-2-yl)-quinolin-5-ylmethyl]ethanamine
SMILESCCNC(c1cc(C)c(C)s1)c1cccc2ncccc12
InChIInChI=1S/C18H20N2S/c1-4-19-18(17-11-12(2)13(3)21-17)15-7-5-9-16-14(15)8-6-10-20-16/h5-11,18-19H,4H2,1-3H3
InChIKeyZIYKWDZSKFUGMI-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.61
Rot. Bonds4

About N-[(4,5-dimethylthiophen-2-yl)-quinolin-5-ylmethyl]ethanamine

N-[(4,5-dimethylthiophen-2-yl)-quinolin-5-ylmethyl]ethanamine (PubChem CID 105020108) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)-quinolin-5-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)-quinolin-5-ylmethyl]ethanamine
PubChem CID105020108
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)-quinolin-5-ylmethyl]ethanamine
SMILESCCNC(c1cc(C)c(C)s1)c1cccc2ncccc12
InChIInChI=1S/C18H20N2S/c1-4-19-18(17-11-12(2)13(3)21-17)15-7-5-9-16-14(15)8-6-10-20-16/h5-11,18-19H,4H2,1-3H3
InChIKeyZIYKWDZSKFUGMI-UHFFFAOYSA-N
XLogP4.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105020135
N-[quinolin-5-yl(thiadiazol-5-yl)methyl]ethanamine
CID 105171948
N-[pyridin-2-yl(quinolin-5-yl)methyl]ethanamine
CID 81220016
N-[(4,5-dimethylthiophen-2-yl)-isoquinolin-4-ylmethyl]ethanamine
CID 115856168
[(5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethyl]hydrazine
CID 105326977
N-[(5-methylpyrazin-2-yl)-quinolin-5-ylmethyl]ethanamine
CID 105172000
N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]ethanamine
CID 106858308
N-[(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
CID 105035800
N-[pyrimidin-4-yl(quinolin-5-yl)methyl]ethanamine
CID 81231393
N,3-diethyl-1-quinolin-5-ylpentan-1-amine
CID 105176769
N-[furan-3-yl(quinolin-5-yl)methyl]ethanamine
CID 81232108
N-[(2,5-dichlorothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 65237651

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)-quinolin-5-ylmethyl]ethanamine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)-quinolin-5-ylmethyl]ethanamine (CID 105020108) is N-[(4,5-dimethylthiophen-2-yl)-quinolin-5-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)-quinolin-5-ylmethyl]ethanamine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)-quinolin-5-ylmethyl]ethanamine is CCNC(c1cc(C)c(C)s1)c1cccc2ncccc12.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)-quinolin-5-ylmethyl]ethanamine?
The InChIKey is ZIYKWDZSKFUGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-4-19-18(17-11-12(2)13(3)21-17)15-7-5-9-16-14(15)8-6-10-20-16/h5-11,18-19H,4H2,1-3H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)-quinolin-5-ylmethyl]ethanamine?
N-[(4,5-dimethylthiophen-2-yl)-quinolin-5-ylmethyl]ethanamine has a molecular weight of 296.44 g/mol, XLogP of 4.61, 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)-quinolin-5-ylmethyl]ethanamine is sourced from PubChem (CID 105020108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).