2-methoxy-N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]ethanamine

C17H24N2OS — CID 63809207

IUPAC2-methoxy-N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]ethanamine
SMILESCOCCNCc1cc2ccccc2nc1SCC(C)C
InChIInChI=1S/C17H24N2OS/c1-13(2)12-21-17-15(11-18-8-9-20-3)10-14-6-4-5-7-16(14)19-17/h4-7,10,13,18H,8-9,11-12H2,1-3H3
InChIKeyXHVHPHBGMZXCOP-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.72
Rot. Bonds8

About 2-methoxy-N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]ethanamine

2-methoxy-N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]ethanamine (PubChem CID 63809207) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-methoxy-N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]ethanamine
PubChem CID63809207
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name2-methoxy-N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]ethanamine
SMILESCOCCNCc1cc2ccccc2nc1SCC(C)C
InChIInChI=1S/C17H24N2OS/c1-13(2)12-21-17-15(11-18-8-9-20-3)10-14-6-4-5-7-16(14)19-17/h4-7,10,13,18H,8-9,11-12H2,1-3H3
InChIKeyXHVHPHBGMZXCOP-UHFFFAOYSA-N
XLogP3.72
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]propan-1-amine
CID 63808487
2-[3-[(2-methoxyethylamino)methyl]quinolin-2-yl]sulfanylethanol
CID 63809105
N-[[2-(3-methoxypropylsulfanyl)quinolin-3-yl]methyl]ethanamine
CID 63857806
3-[3-(ethylaminomethyl)quinolin-2-yl]sulfanyl-2-methylpropan-1-ol
CID 66102998
N-cyclopropyl-3-[(2-methoxyethylamino)methyl]-N-methylquinolin-2-amine
CID 63060367
N-[(2-propan-2-ylsulfanylquinolin-3-yl)methyl]propan-1-amine
CID 55238495
N-[[2-(3-methylbutan-2-ylsulfanyl)quinolin-3-yl]methyl]propan-1-amine
CID 107761589
N-[(2-pentylsulfanylquinolin-3-yl)methyl]propan-1-amine
CID 107761456
3-[3-[(2-methylpropylamino)methyl]quinolin-2-yl]sulfanylpropan-1-ol
CID 66128985
2-methoxy-N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]ethanamine
CID 63807612
[2-(2-methoxyethylsulfanyl)quinolin-3-yl]methanol
CID 55240821
N-[[3-chloro-4-(2-methylpropylsulfanyl)phenyl]methyl]-2-methoxyethanamine
CID 81160691

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]ethanamine (CID 63809207) is 2-methoxy-N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]ethanamine is COCCNCc1cc2ccccc2nc1SCC(C)C.
What is the InChIKey of 2-methoxy-N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]ethanamine?
The InChIKey is XHVHPHBGMZXCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-13(2)12-21-17-15(11-18-8-9-20-3)10-14-6-4-5-7-16(14)19-17/h4-7,10,13,18H,8-9,11-12H2,1-3H3.
What are the key properties of 2-methoxy-N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]ethanamine?
2-methoxy-N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]ethanamine has a molecular weight of 304.46 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]ethanamine is sourced from PubChem (CID 63809207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).