N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfinylpropan-1-amine

C15H20N2OS — CID 115764108

IUPACN-[(2-methylquinolin-4-yl)methyl]-2-methylsulfinylpropan-1-amine
SMILESCc1cc(CNCC(C)S(C)=O)c2ccccc2n1
InChIInChI=1S/C15H20N2OS/c1-11-8-13(10-16-9-12(2)19(3)18)14-6-4-5-7-15(14)17-11/h4-8,12,16H,9-10H2,1-3H3
InChIKeyYQUPZYNLQVVJIE-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.40
Rot. Bonds5

About N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfinylpropan-1-amine

N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfinylpropan-1-amine (PubChem CID 115764108) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfinylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-methylquinolin-4-yl)methyl]-2-methylsulfinylpropan-1-amine
PubChem CID115764108
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-[(2-methylquinolin-4-yl)methyl]-2-methylsulfinylpropan-1-amine
SMILESCc1cc(CNCC(C)S(C)=O)c2ccccc2n1
InChIInChI=1S/C15H20N2OS/c1-11-8-13(10-16-9-12(2)19(3)18)14-6-4-5-7-15(14)17-11/h4-8,12,16H,9-10H2,1-3H3
InChIKeyYQUPZYNLQVVJIE-UHFFFAOYSA-N
XLogP2.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-3-[(2-methylquinolin-4-yl)methylamino]propan-2-ol
CID 78993327
N-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine
CID 113405208
N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfonylethanamine
CID 78943321
2-methyl-N-[(2-methylquinolin-4-yl)methyl]pentan-3-amine
CID 78942769
3-methyl-2-[(2-methylquinolin-4-yl)methylamino]butanoic acid
CID 79235216
5-methyl-N-[(2-methylquinolin-4-yl)methyl]hexan-2-amine
CID 78942763
1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78978650
(1S)-N-[(2-methylquinolin-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398233
1-[(2-methylquinolin-4-yl)methylsulfinyl]propan-2-amine
CID 81189782
3-[(2-methylquinolin-4-yl)methylamino]butan-1-ol
CID 78998387
2-cyclopropyl-N-[(2-methylquinolin-4-yl)methyl]ethanamine
CID 79033204
N-[(4-methyl-3-pyridinyl)methyl]-1-(2-methylquinolin-4-yl)methanamine
CID 114954791

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfinylpropan-1-amine?
The IUPAC name of N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfinylpropan-1-amine (CID 115764108) is N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfinylpropan-1-amine.
What is the SMILES notation for N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfinylpropan-1-amine?
The canonical SMILES for N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfinylpropan-1-amine is Cc1cc(CNCC(C)S(C)=O)c2ccccc2n1.
What is the InChIKey of N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfinylpropan-1-amine?
The InChIKey is YQUPZYNLQVVJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11-8-13(10-16-9-12(2)19(3)18)14-6-4-5-7-15(14)17-11/h4-8,12,16H,9-10H2,1-3H3.
What are the key properties of N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfinylpropan-1-amine?
N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfinylpropan-1-amine has a molecular weight of 276.41 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfinylpropan-1-amine is sourced from PubChem (CID 115764108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).