2-ethylsulfanyl-N-methyl-1-quinolin-5-ylethanamine

C14H18N2S — CID 81232043

IUPAC2-ethylsulfanyl-N-methyl-1-quinolin-5-ylethanamine
SMILESCCSCC(NC)c1cccc2ncccc12
InChIInChI=1S/C14H18N2S/c1-3-17-10-14(15-2)12-6-4-8-13-11(12)7-5-9-16-13/h4-9,14-15H,3,10H2,1-2H3
InChIKeyGGTMKYJDXPTZLN-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.25
Rot. Bonds5

About 2-ethylsulfanyl-N-methyl-1-quinolin-5-ylethanamine

2-ethylsulfanyl-N-methyl-1-quinolin-5-ylethanamine (PubChem CID 81232043) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-methyl-1-quinolin-5-ylethanamine.

Molecular Properties

Compound Name2-ethylsulfanyl-N-methyl-1-quinolin-5-ylethanamine
PubChem CID81232043
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name2-ethylsulfanyl-N-methyl-1-quinolin-5-ylethanamine
SMILESCCSCC(NC)c1cccc2ncccc12
InChIInChI=1S/C14H18N2S/c1-3-17-10-14(15-2)12-6-4-8-13-11(12)7-5-9-16-13/h4-9,14-15H,3,10H2,1-2H3
InChIKeyGGTMKYJDXPTZLN-UHFFFAOYSA-N
XLogP3.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylsulfanyl-1-quinolin-5-ylethyl)hydrazine
CID 105225457
2-ethylsulfanyl-N-methyl-1-naphthalen-1-ylethanamine
CID 64614644
N-methyl-1-quinolin-5-ylpent-4-yn-1-amine
CID 105149256
N-methyl-1-quinolin-5-ylhex-5-en-1-amine
CID 105153263
2-(4-fluorophenyl)-N-methyl-1-quinolin-5-ylethanamine
CID 81209499
N-methyl-2-(2-methylphenyl)-1-quinolin-5-ylethanamine
CID 81227621
2-(4-chlorophenyl)-N-methyl-1-quinolin-5-ylethanamine
CID 81210403
(2-tert-butylsulfanyl-1-quinolin-5-ylethyl)hydrazine
CID 105226551
N-methyl-1-quinolin-5-yl-2-(thian-4-yl)ethanamine
CID 105171945
N,3-diethyl-1-quinolin-5-ylpentan-1-amine
CID 105176769
1-quinolin-5-ylpentylhydrazine
CID 105245773
N-ethyl-1-quinolin-5-ylpentan-1-amine
CID 81231643

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-methyl-1-quinolin-5-ylethanamine?
The IUPAC name of 2-ethylsulfanyl-N-methyl-1-quinolin-5-ylethanamine (CID 81232043) is 2-ethylsulfanyl-N-methyl-1-quinolin-5-ylethanamine.
What is the SMILES notation for 2-ethylsulfanyl-N-methyl-1-quinolin-5-ylethanamine?
The canonical SMILES for 2-ethylsulfanyl-N-methyl-1-quinolin-5-ylethanamine is CCSCC(NC)c1cccc2ncccc12.
What is the InChIKey of 2-ethylsulfanyl-N-methyl-1-quinolin-5-ylethanamine?
The InChIKey is GGTMKYJDXPTZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-3-17-10-14(15-2)12-6-4-8-13-11(12)7-5-9-16-13/h4-9,14-15H,3,10H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-N-methyl-1-quinolin-5-ylethanamine?
2-ethylsulfanyl-N-methyl-1-quinolin-5-ylethanamine has a molecular weight of 246.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-methyl-1-quinolin-5-ylethanamine is sourced from PubChem (CID 81232043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).