2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-thiophen-3-ylethanamine

C16H20N2S — CID 63404092

IUPAC2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-thiophen-3-ylethanamine
SMILESCC1Cc2ccccc2N(C(CN)c2ccsc2)C1
InChIInChI=1S/C16H20N2S/c1-12-8-13-4-2-3-5-15(13)18(10-12)16(9-17)14-6-7-19-11-14/h2-7,11-12,16H,8-10,17H2,1H3
InChIKeyDGHSHMBYVGFLRX-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.45
Rot. Bonds3

About 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-thiophen-3-ylethanamine

2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-thiophen-3-ylethanamine (PubChem CID 63404092) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-thiophen-3-ylethanamine
PubChem CID63404092
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-thiophen-3-ylethanamine
SMILESCC1Cc2ccccc2N(C(CN)c2ccsc2)C1
InChIInChI=1S/C16H20N2S/c1-12-8-13-4-2-3-5-15(13)18(10-12)16(9-17)14-6-7-19-11-14/h2-7,11-12,16H,8-10,17H2,1H3
InChIKeyDGHSHMBYVGFLRX-UHFFFAOYSA-N
XLogP3.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-thiophen-3-ylethanamine?
The IUPAC name of 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-thiophen-3-ylethanamine (CID 63404092) is 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-thiophen-3-ylethanamine?
The canonical SMILES for 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-thiophen-3-ylethanamine is CC1Cc2ccccc2N(C(CN)c2ccsc2)C1.
What is the InChIKey of 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-thiophen-3-ylethanamine?
The InChIKey is DGHSHMBYVGFLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-12-8-13-4-2-3-5-15(13)18(10-12)16(9-17)14-6-7-19-11-14/h2-7,11-12,16H,8-10,17H2,1H3.
What are the key properties of 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-thiophen-3-ylethanamine?
2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-thiophen-3-ylethanamine has a molecular weight of 272.42 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 63404092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).