(1S)-N-[(2-methylquinolin-4-yl)methyl]-1-thiophen-2-ylethanamine

C17H18N2S — CID 81398233

IUPAC(1S)-N-[(2-methylquinolin-4-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCc1cc(CN[C@@H](C)c2cccs2)c2ccccc2n1
InChIInChI=1S/C17H18N2S/c1-12-10-14(15-6-3-4-7-16(15)19-12)11-18-13(2)17-8-5-9-20-17/h3-10,13,18H,11H2,1-2H3/t13-/m0/s1
InChIKeyVFIAHXIBWRFGLM-ZDUSSCGKSA-N
MW282.41 g/mol
LogP4.46
Rot. Bonds4

About (1S)-N-[(2-methylquinolin-4-yl)methyl]-1-thiophen-2-ylethanamine

(1S)-N-[(2-methylquinolin-4-yl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 81398233) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is (1S)-N-[(2-methylquinolin-4-yl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(2-methylquinolin-4-yl)methyl]-1-thiophen-2-ylethanamine
PubChem CID81398233
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name(1S)-N-[(2-methylquinolin-4-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCc1cc(CN[C@@H](C)c2cccs2)c2ccccc2n1
InChIInChI=1S/C17H18N2S/c1-12-10-14(15-6-3-4-7-16(15)19-12)11-18-13(2)17-8-5-9-20-17/h3-10,13,18H,11H2,1-2H3/t13-/m0/s1
InChIKeyVFIAHXIBWRFGLM-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)-N-(naphthalen-1-ylmethyl)-1-thiophen-2-ylethanamine
CID 28683348
N-[(2-methylquinolin-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 78943042
2-methyl-N-[(2-methylquinolin-4-yl)methyl]pentan-3-amine
CID 78942769
5-methyl-N-[(2-methylquinolin-4-yl)methyl]hexan-2-amine
CID 78942763
3-[(2-methylquinolin-4-yl)methylamino]butan-1-ol
CID 78998387
(1S)-N-[(2-methylquinolin-6-yl)methyl]-1-thiophen-2-ylethanamine
CID 105378592
2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 28683494
3-methyl-2-[(2-methylquinolin-4-yl)methylamino]butanoic acid
CID 79235216
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178818
(1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 105371284
(1S)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398305

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2-methylquinolin-4-yl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of (1S)-N-[(2-methylquinolin-4-yl)methyl]-1-thiophen-2-ylethanamine (CID 81398233) is (1S)-N-[(2-methylquinolin-4-yl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1S)-N-[(2-methylquinolin-4-yl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for (1S)-N-[(2-methylquinolin-4-yl)methyl]-1-thiophen-2-ylethanamine is Cc1cc(CN[C@@H](C)c2cccs2)c2ccccc2n1.
What is the InChIKey of (1S)-N-[(2-methylquinolin-4-yl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is VFIAHXIBWRFGLM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N2S/c1-12-10-14(15-6-3-4-7-16(15)19-12)11-18-13(2)17-8-5-9-20-17/h3-10,13,18H,11H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-N-[(2-methylquinolin-4-yl)methyl]-1-thiophen-2-ylethanamine?
(1S)-N-[(2-methylquinolin-4-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-4-yl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 81398233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).