1-(2-methylquinolin-6-yl)-2-propan-2-ylsulfanylethanamine

C15H20N2S — CID 81231835

IUPAC1-(2-methylquinolin-6-yl)-2-propan-2-ylsulfanylethanamine
SMILESCc1ccc2cc(C(N)CSC(C)C)ccc2n1
InChIInChI=1S/C15H20N2S/c1-10(2)18-9-14(16)12-6-7-15-13(8-12)5-4-11(3)17-15/h4-8,10,14H,9,16H2,1-3H3
InChIKeyFXQZRLNFUBNGRL-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.68
Rot. Bonds4

About 1-(2-methylquinolin-6-yl)-2-propan-2-ylsulfanylethanamine

1-(2-methylquinolin-6-yl)-2-propan-2-ylsulfanylethanamine (PubChem CID 81231835) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 1-(2-methylquinolin-6-yl)-2-propan-2-ylsulfanylethanamine.

Molecular Properties

Compound Name1-(2-methylquinolin-6-yl)-2-propan-2-ylsulfanylethanamine
PubChem CID81231835
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name1-(2-methylquinolin-6-yl)-2-propan-2-ylsulfanylethanamine
SMILESCc1ccc2cc(C(N)CSC(C)C)ccc2n1
InChIInChI=1S/C15H20N2S/c1-10(2)18-9-14(16)12-6-7-15-13(8-12)5-4-11(3)17-15/h4-8,10,14H,9,16H2,1-3H3
InChIKeyFXQZRLNFUBNGRL-UHFFFAOYSA-N
XLogP3.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylquinolin-6-yl)-2-propylsulfanylethanamine
CID 81231833
3,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine
CID 81231464
3,3,3-trifluoro-1-(2-methylquinolin-6-yl)propan-1-amine
CID 79016384
1-(2-methylquinolin-6-yl)-2-pyridin-4-ylethanamine
CID 81231601
1-(2-methylquinolin-6-yl)-2-propoxyethanamine
CID 81231742
2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine
CID 81231763
4-ethoxy-1-(2-methylquinolin-6-yl)butan-1-amine
CID 105172287
1-(2-methylquinolin-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147995
3-(furan-2-yl)-1-(2-methylquinolin-6-yl)propan-1-amine
CID 105172248
[2-methyl-1-(2-methylquinolin-6-yl)propyl]hydrazine
CID 105199572
1-(2-methylquinolin-6-yl)propan-1-ol
CID 81216711
2-methyl-1-(2-methylquinolin-6-yl)butan-1-ol
CID 81215900

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylquinolin-6-yl)-2-propan-2-ylsulfanylethanamine?
The IUPAC name of 1-(2-methylquinolin-6-yl)-2-propan-2-ylsulfanylethanamine (CID 81231835) is 1-(2-methylquinolin-6-yl)-2-propan-2-ylsulfanylethanamine.
What is the SMILES notation for 1-(2-methylquinolin-6-yl)-2-propan-2-ylsulfanylethanamine?
The canonical SMILES for 1-(2-methylquinolin-6-yl)-2-propan-2-ylsulfanylethanamine is Cc1ccc2cc(C(N)CSC(C)C)ccc2n1.
What is the InChIKey of 1-(2-methylquinolin-6-yl)-2-propan-2-ylsulfanylethanamine?
The InChIKey is FXQZRLNFUBNGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-10(2)18-9-14(16)12-6-7-15-13(8-12)5-4-11(3)17-15/h4-8,10,14H,9,16H2,1-3H3.
What are the key properties of 1-(2-methylquinolin-6-yl)-2-propan-2-ylsulfanylethanamine?
1-(2-methylquinolin-6-yl)-2-propan-2-ylsulfanylethanamine has a molecular weight of 260.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylquinolin-6-yl)-2-propan-2-ylsulfanylethanamine is sourced from PubChem (CID 81231835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).