2-methoxy-N-[[3-methyl-2-(2-methylsulfanylethoxy)phenyl]methyl]ethanamine

C14H23NO2S — CID 113473481

IUPAC2-methoxy-N-[[3-methyl-2-(2-methylsulfanylethoxy)phenyl]methyl]ethanamine
SMILESCOCCNCc1cccc(C)c1OCCSC
InChIInChI=1S/C14H23NO2S/c1-12-5-4-6-13(11-15-7-8-16-2)14(12)17-9-10-18-3/h4-6,15H,7-11H2,1-3H3
InChIKeyPXFIFHLCORPUAY-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.47
Rot. Bonds9

About 2-methoxy-N-[[3-methyl-2-(2-methylsulfanylethoxy)phenyl]methyl]ethanamine

2-methoxy-N-[[3-methyl-2-(2-methylsulfanylethoxy)phenyl]methyl]ethanamine (PubChem CID 113473481) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-methoxy-N-[[3-methyl-2-(2-methylsulfanylethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[3-methyl-2-(2-methylsulfanylethoxy)phenyl]methyl]ethanamine
PubChem CID113473481
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name2-methoxy-N-[[3-methyl-2-(2-methylsulfanylethoxy)phenyl]methyl]ethanamine
SMILESCOCCNCc1cccc(C)c1OCCSC
InChIInChI=1S/C14H23NO2S/c1-12-5-4-6-13(11-15-7-8-16-2)14(12)17-9-10-18-3/h4-6,15H,7-11H2,1-3H3
InChIKeyPXFIFHLCORPUAY-UHFFFAOYSA-N
XLogP2.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.47
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-cyclopropylethoxy)-3-methylphenyl]methyl]-2-methoxyethanamine
CID 112610300
2-methoxy-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]ethanamine
CID 114471739
2-methoxy-N-[(3-methyl-2-phenylmethoxyphenyl)methyl]ethanamine
CID 112610278
N-[[2-[(E)-but-2-enoxy]-3-methylphenyl]methyl]-2-methoxyethanamine
CID 112610273
2-methoxy-N-[[3-methyl-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 107041629
2-methoxy-N-[[3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 115954443
N'-[(2,3-dimethylphenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405496
N-[[2-(3-methoxypropoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 112610263
2-methoxy-N-[(3-methoxy-2-propoxyphenyl)methyl]ethanamine
CID 39356672
N-[[5-bromo-2-(2-methylsulfanylethoxy)phenyl]methyl]-2-methoxyethanamine
CID 113473381
N-[[2-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 115954328
2-methoxy-N-(quinolin-5-ylmethyl)ethanamine
CID 62543986

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-methyl-2-(2-methylsulfanylethoxy)phenyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[3-methyl-2-(2-methylsulfanylethoxy)phenyl]methyl]ethanamine (CID 113473481) is 2-methoxy-N-[[3-methyl-2-(2-methylsulfanylethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[3-methyl-2-(2-methylsulfanylethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[3-methyl-2-(2-methylsulfanylethoxy)phenyl]methyl]ethanamine is COCCNCc1cccc(C)c1OCCSC.
What is the InChIKey of 2-methoxy-N-[[3-methyl-2-(2-methylsulfanylethoxy)phenyl]methyl]ethanamine?
The InChIKey is PXFIFHLCORPUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-12-5-4-6-13(11-15-7-8-16-2)14(12)17-9-10-18-3/h4-6,15H,7-11H2,1-3H3.
What are the key properties of 2-methoxy-N-[[3-methyl-2-(2-methylsulfanylethoxy)phenyl]methyl]ethanamine?
2-methoxy-N-[[3-methyl-2-(2-methylsulfanylethoxy)phenyl]methyl]ethanamine has a molecular weight of 269.41 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-methyl-2-(2-methylsulfanylethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 113473481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).