(1S)-N-[(2-methylquinolin-6-yl)methyl]-1-thiophen-2-ylethanamine

C17H18N2S — CID 105378592

IUPAC(1S)-N-[(2-methylquinolin-6-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCc1ccc2cc(CN[C@@H](C)c3cccs3)ccc2n1
InChIInChI=1S/C17H18N2S/c1-12-5-7-15-10-14(6-8-16(15)19-12)11-18-13(2)17-4-3-9-20-17/h3-10,13,18H,11H2,1-2H3/t13-/m0/s1
InChIKeyZHSITGRIZXLOTR-ZDUSSCGKSA-N
MW282.41 g/mol
LogP4.46
Rot. Bonds4

About (1S)-N-[(2-methylquinolin-6-yl)methyl]-1-thiophen-2-ylethanamine

(1S)-N-[(2-methylquinolin-6-yl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 105378592) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is (1S)-N-[(2-methylquinolin-6-yl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(2-methylquinolin-6-yl)methyl]-1-thiophen-2-ylethanamine
PubChem CID105378592
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name(1S)-N-[(2-methylquinolin-6-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCc1ccc2cc(CN[C@@H](C)c3cccs3)ccc2n1
InChIInChI=1S/C17H18N2S/c1-12-5-7-15-10-14(6-8-16(15)19-12)11-18-13(2)17-4-3-9-20-17/h3-10,13,18H,11H2,1-2H3/t13-/m0/s1
InChIKeyZHSITGRIZXLOTR-ZDUSSCGKSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(furan-2-yl)-N-[(2-methylquinolin-6-yl)methyl]ethanamine
CID 105378594
(1S)-N-(isoquinolin-6-ylmethyl)-1-thiophen-2-ylethanamine
CID 107038718
1-(2-methylquinolin-6-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 105378240
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 28683372
(1S)-N-[(4-bromo-3-methylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398523
(1S)-N-[(3,5-dimethylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398150
3-methyl-N-[(2-methylquinolin-6-yl)methyl]pentan-2-amine
CID 105378393
(1S)-N-[(2-methylquinolin-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398233
1-N,1-N-dimethyl-2-N-[(2-methylquinolin-6-yl)methyl]propane-1,2-diamine
CID 105378632
N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 81231391
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
2-methyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 81231609

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2-methylquinolin-6-yl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of (1S)-N-[(2-methylquinolin-6-yl)methyl]-1-thiophen-2-ylethanamine (CID 105378592) is (1S)-N-[(2-methylquinolin-6-yl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1S)-N-[(2-methylquinolin-6-yl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for (1S)-N-[(2-methylquinolin-6-yl)methyl]-1-thiophen-2-ylethanamine is Cc1ccc2cc(CN[C@@H](C)c3cccs3)ccc2n1.
What is the InChIKey of (1S)-N-[(2-methylquinolin-6-yl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is ZHSITGRIZXLOTR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N2S/c1-12-5-7-15-10-14(6-8-16(15)19-12)11-18-13(2)17-4-3-9-20-17/h3-10,13,18H,11H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-N-[(2-methylquinolin-6-yl)methyl]-1-thiophen-2-ylethanamine?
(1S)-N-[(2-methylquinolin-6-yl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 282.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2-methylquinolin-6-yl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 105378592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).