1-(3-ethylthiophen-2-yl)-N-methyl-1-quinolin-3-ylmethanamine

C17H18N2S — CID 115798023

IUPAC1-(3-ethylthiophen-2-yl)-N-methyl-1-quinolin-3-ylmethanamine
SMILESCCc1ccsc1C(NC)c1cnc2ccccc2c1
InChIInChI=1S/C17H18N2S/c1-3-12-8-9-20-17(12)16(18-2)14-10-13-6-4-5-7-15(13)19-11-14/h4-11,16,18H,3H2,1-2H3
InChIKeyRLZPPYASFATRPF-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.17
Rot. Bonds4

About 1-(3-ethylthiophen-2-yl)-N-methyl-1-quinolin-3-ylmethanamine

1-(3-ethylthiophen-2-yl)-N-methyl-1-quinolin-3-ylmethanamine (PubChem CID 115798023) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(3-ethylthiophen-2-yl)-N-methyl-1-quinolin-3-ylmethanamine.

Molecular Properties

Compound Name1-(3-ethylthiophen-2-yl)-N-methyl-1-quinolin-3-ylmethanamine
PubChem CID115798023
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name1-(3-ethylthiophen-2-yl)-N-methyl-1-quinolin-3-ylmethanamine
SMILESCCc1ccsc1C(NC)c1cnc2ccccc2c1
InChIInChI=1S/C17H18N2S/c1-3-12-8-9-20-17(12)16(18-2)14-10-13-6-4-5-7-15(13)19-11-14/h4-11,16,18H,3H2,1-2H3
InChIKeyRLZPPYASFATRPF-UHFFFAOYSA-N
XLogP4.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylthiadiazol-5-yl)-N-methyl-1-quinolin-3-ylmethanamine
CID 105097449
1-(3-ethylthiophen-2-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105022948
1-(3-ethylthiophen-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 115791857
1-(3-ethylthiophen-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 104991296
N-[(3-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 115851065
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-3-ylmethanamine
CID 105097381
1-(4-bromophenyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 60923508
N-methyl-1-(2-methylphenyl)-1-quinolin-3-ylmethanamine
CID 60924531
1-(3-ethylthiophen-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105018995
1-(5-fluoro-3-pyridinyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 105097865
1-(2,5-dimethylphenyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 115798284
1-(2,5-dichlorophenyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 115797603

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylthiophen-2-yl)-N-methyl-1-quinolin-3-ylmethanamine?
The IUPAC name of 1-(3-ethylthiophen-2-yl)-N-methyl-1-quinolin-3-ylmethanamine (CID 115798023) is 1-(3-ethylthiophen-2-yl)-N-methyl-1-quinolin-3-ylmethanamine.
What is the SMILES notation for 1-(3-ethylthiophen-2-yl)-N-methyl-1-quinolin-3-ylmethanamine?
The canonical SMILES for 1-(3-ethylthiophen-2-yl)-N-methyl-1-quinolin-3-ylmethanamine is CCc1ccsc1C(NC)c1cnc2ccccc2c1.
What is the InChIKey of 1-(3-ethylthiophen-2-yl)-N-methyl-1-quinolin-3-ylmethanamine?
The InChIKey is RLZPPYASFATRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-3-12-8-9-20-17(12)16(18-2)14-10-13-6-4-5-7-15(13)19-11-14/h4-11,16,18H,3H2,1-2H3.
What are the key properties of 1-(3-ethylthiophen-2-yl)-N-methyl-1-quinolin-3-ylmethanamine?
1-(3-ethylthiophen-2-yl)-N-methyl-1-quinolin-3-ylmethanamine has a molecular weight of 282.41 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylthiophen-2-yl)-N-methyl-1-quinolin-3-ylmethanamine is sourced from PubChem (CID 115798023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).