2-quinolin-8-yl-N-(thiophen-3-ylmethyl)ethanamine

C16H16N2S — CID 112727575

IUPAC2-quinolin-8-yl-N-(thiophen-3-ylmethyl)ethanamine
SMILESc1cnc2c(CCNCc3ccsc3)cccc2c1
InChIInChI=1S/C16H16N2S/c1-3-14-5-2-8-18-16(14)15(4-1)6-9-17-11-13-7-10-19-12-13/h1-5,7-8,10,12,17H,6,9,11H2
InChIKeyFZHPAPAWDOKTRC-UHFFFAOYSA-N
MW268.39 g/mol
LogP3.63
Rot. Bonds5

About 2-quinolin-8-yl-N-(thiophen-3-ylmethyl)ethanamine

2-quinolin-8-yl-N-(thiophen-3-ylmethyl)ethanamine (PubChem CID 112727575) has the molecular formula C16H16N2S and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-quinolin-8-yl-N-(thiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-quinolin-8-yl-N-(thiophen-3-ylmethyl)ethanamine
PubChem CID112727575
Molecular FormulaC16H16N2S
Molecular Weight268.39 g/mol
Exact Mass268.10
IUPAC Name2-quinolin-8-yl-N-(thiophen-3-ylmethyl)ethanamine
SMILESc1cnc2c(CCNCc3ccsc3)cccc2c1
InChIInChI=1S/C16H16N2S/c1-3-14-5-2-8-18-16(14)15(4-1)6-9-17-11-13-7-10-19-12-13/h1-5,7-8,10,12,17H,6,9,11H2
InChIKeyFZHPAPAWDOKTRC-UHFFFAOYSA-N
XLogP3.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-quinolin-8-ylethylamino)methyl]phenol
CID 78916472
N-[(3-methylthiophen-2-yl)methyl]-2-quinolin-8-ylethanamine
CID 78870691
N-(quinolin-8-ylmethyl)-1-thiophen-3-ylpropan-2-amine
CID 61222089
2-quinolin-8-yl-N-(2-thiophen-2-ylethyl)ethanamine
CID 81428422
N-[(6-methoxy-3-pyridinyl)methyl]-2-quinolin-8-ylethanamine
CID 167841665
1-(2-quinolin-8-ylethylamino)propan-2-ol
CID 81428765
N-[(4-morpholin-4-ylphenyl)methyl]-2-quinolin-8-ylethanamine
CID 51086137
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
N-[(5-iodofuran-2-yl)methyl]-2-quinolin-8-ylethanamine
CID 81426993
3-ethylsulfonyl-N-(2-quinolin-8-ylethyl)propan-1-amine
CID 81426941
6-chloro-N-(thiophen-3-ylmethyl)quinolin-8-amine
CID 43672406
N-(quinolin-8-ylmethyl)butan-1-amine
CID 28613793

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-8-yl-N-(thiophen-3-ylmethyl)ethanamine?
The IUPAC name of 2-quinolin-8-yl-N-(thiophen-3-ylmethyl)ethanamine (CID 112727575) is 2-quinolin-8-yl-N-(thiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-quinolin-8-yl-N-(thiophen-3-ylmethyl)ethanamine?
The canonical SMILES for 2-quinolin-8-yl-N-(thiophen-3-ylmethyl)ethanamine is c1cnc2c(CCNCc3ccsc3)cccc2c1.
What is the InChIKey of 2-quinolin-8-yl-N-(thiophen-3-ylmethyl)ethanamine?
The InChIKey is FZHPAPAWDOKTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-3-14-5-2-8-18-16(14)15(4-1)6-9-17-11-13-7-10-19-12-13/h1-5,7-8,10,12,17H,6,9,11H2.
What are the key properties of 2-quinolin-8-yl-N-(thiophen-3-ylmethyl)ethanamine?
2-quinolin-8-yl-N-(thiophen-3-ylmethyl)ethanamine has a molecular weight of 268.39 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-8-yl-N-(thiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 112727575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).