2-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine

C15H17ClN2S — CID 43146883

IUPAC2-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine
SMILESNCC(c1ccc(Cl)s1)N1CCCc2ccccc21
InChIInChI=1S/C15H17ClN2S/c16-15-8-7-14(19-15)13(10-17)18-9-3-5-11-4-1-2-6-12(11)18/h1-2,4,6-8,13H,3,5,9-10,17H2
InChIKeyYWACZTRRPWWAIQ-UHFFFAOYSA-N
MW292.84 g/mol
LogP3.85
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine

2-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine (PubChem CID 43146883) has the molecular formula C15H17ClN2S and a molecular weight of 292.84 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine
PubChem CID43146883
Molecular FormulaC15H17ClN2S
Molecular Weight292.84 g/mol
Exact Mass292.08
IUPAC Name2-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine
SMILESNCC(c1ccc(Cl)s1)N1CCCc2ccccc21
InChIInChI=1S/C15H17ClN2S/c16-15-8-7-14(19-15)13(10-17)18-9-3-5-11-4-1-2-6-12(11)18/h1-2,4,6-8,13H,3,5,9-10,17H2
InChIKeyYWACZTRRPWWAIQ-UHFFFAOYSA-N
XLogP3.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.84
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)-2-thiophen-3-ylethanamine
CID 16792564
2-(3-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine
CID 106817234
2-(3-bromophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine
CID 43180447
2-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanol
CID 155093221
2-(5-chlorothiophen-2-yl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
CID 114489571
4-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-amine
CID 62425766
2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanamine
CID 16791029
2-(5-chlorothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 43146867
1-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-1-ol
CID 121357629
4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 66430065
(5-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol
CID 62720041
4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutanamide
CID 66427347

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine (CID 43146883) is 2-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine is NCC(c1ccc(Cl)s1)N1CCCc2ccccc21.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine?
The InChIKey is YWACZTRRPWWAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S/c16-15-8-7-14(19-15)13(10-17)18-9-3-5-11-4-1-2-6-12(11)18/h1-2,4,6-8,13H,3,5,9-10,17H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine?
2-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine has a molecular weight of 292.84 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine is sourced from PubChem (CID 43146883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).