2-(2-methoxyphenoxy)-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine

C23H25NO3S — CID 141088604

IUPAC2-(2-methoxyphenoxy)-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine
SMILESCOc1ccccc1OCCNCc1ccccc1Sc1ccccc1OC
InChIInChI=1S/C23H25NO3S/c1-25-19-10-4-5-11-20(19)27-16-15-24-17-18-9-3-7-13-22(18)28-23-14-8-6-12-21(23)26-2/h3-14,24H,15-17H2,1-2H3
InChIKeyNDWGBHXKLWZJEX-UHFFFAOYSA-N
MW395.52 g/mol
LogP5.02
Rot. Bonds10

About 2-(2-methoxyphenoxy)-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine

2-(2-methoxyphenoxy)-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine (PubChem CID 141088604) has the molecular formula C23H25NO3S and a molecular weight of 395.52 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine
PubChem CID141088604
Molecular FormulaC23H25NO3S
Molecular Weight395.52 g/mol
Exact Mass395.16
IUPAC Name2-(2-methoxyphenoxy)-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine
SMILESCOc1ccccc1OCCNCc1ccccc1Sc1ccccc1OC
InChIInChI=1S/C23H25NO3S/c1-25-19-10-4-5-11-20(19)27-16-15-24-17-18-9-3-7-13-22(18)28-23-14-8-6-12-21(23)26-2/h3-14,24H,15-17H2,1-2H3
InChIKeyNDWGBHXKLWZJEX-UHFFFAOYSA-N
XLogP5.02
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.52
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-2-phenoxyethanamine
CID 141088572
2-[2-[(2-naphthalen-1-yloxyethylamino)methyl]phenyl]sulfanylaniline
CID 141088593
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropan-1-amine;hydrochloride
CID 117067322
1-(chloromethyl)-2-(2-methoxyphenyl)sulfanylbenzene
CID 141087077
N-[[4-(chloromethyl)phenyl]methyl]-2-(2-methoxyphenoxy)ethanamine
CID 107232956
1-[2-(2-methoxyphenoxy)ethylamino]-2-methylpropan-2-ol
CID 63239759
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113099759
2-[[2-(2-ethoxyphenoxy)ethylamino]methyl]phenol
CID 114332030
2-methoxy-N-[[2-(2-methoxyphenoxy)phenyl]methyl]ethanamine
CID 63071959
1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine
CID 3075829
2-(4-bromophenoxy)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 60690018
2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55148747

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine (CID 141088604) is 2-(2-methoxyphenoxy)-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine is COc1ccccc1OCCNCc1ccccc1Sc1ccccc1OC.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine?
The InChIKey is NDWGBHXKLWZJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3S/c1-25-19-10-4-5-11-20(19)27-16-15-24-17-18-9-3-7-13-22(18)28-23-14-8-6-12-21(23)26-2/h3-14,24H,15-17H2,1-2H3.
What are the key properties of 2-(2-methoxyphenoxy)-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine?
2-(2-methoxyphenoxy)-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine has a molecular weight of 395.52 g/mol, XLogP of 5.02, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine is sourced from PubChem (CID 141088604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).