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

C18H24N2S — CID 63467051

IUPAC2-(5-ethylthiophen-2-yl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine
SMILESCCc1ccc(C(CN)N2CC(C)Cc3ccccc32)s1
InChIInChI=1S/C18H24N2S/c1-3-15-8-9-18(21-15)17(11-19)20-12-13(2)10-14-6-4-5-7-16(14)20/h4-9,13,17H,3,10-12,19H2,1-2H3
InChIKeyDWLQVRYFDNKRFU-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.01
Rot. Bonds4

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

2-(5-ethylthiophen-2-yl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine (PubChem CID 63467051) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine
PubChem CID63467051
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name2-(5-ethylthiophen-2-yl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine
SMILESCCc1ccc(C(CN)N2CC(C)Cc3ccccc32)s1
InChIInChI=1S/C18H24N2S/c1-3-15-8-9-18(21-15)17(11-19)20-12-13(2)10-14-6-4-5-7-16(14)20/h4-9,13,17H,3,10-12,19H2,1-2H3
InChIKeyDWLQVRYFDNKRFU-UHFFFAOYSA-N
XLogP4.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine (CID 63467051) is 2-(5-ethylthiophen-2-yl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine is CCc1ccc(C(CN)N2CC(C)Cc3ccccc32)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine?
The InChIKey is DWLQVRYFDNKRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-3-15-8-9-18(21-15)17(11-19)20-12-13(2)10-14-6-4-5-7-16(14)20/h4-9,13,17H,3,10-12,19H2,1-2H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine?
2-(5-ethylthiophen-2-yl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine has a molecular weight of 300.47 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine is sourced from PubChem (CID 63467051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).