[2-methoxy-4-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine

C16H19NO2S — CID 106786332

IUPAC[2-methoxy-4-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine
SMILESCOc1cc(COc2ccccc2SC)ccc1CN
InChIInChI=1S/C16H19NO2S/c1-18-15-9-12(7-8-13(15)10-17)11-19-14-5-3-4-6-16(14)20-2/h3-9H,10-11,17H2,1-2H3
InChIKeyBRYWCMIYPUBTNN-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.45
Rot. Bonds6

About [2-methoxy-4-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine

[2-methoxy-4-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine (PubChem CID 106786332) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is [2-methoxy-4-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-4-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine
PubChem CID106786332
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name[2-methoxy-4-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine
SMILESCOc1cc(COc2ccccc2SC)ccc1CN
InChIInChI=1S/C16H19NO2S/c1-18-15-9-12(7-8-13(15)10-17)11-19-14-5-3-4-6-16(14)20-2/h3-9H,10-11,17H2,1-2H3
InChIKeyBRYWCMIYPUBTNN-UHFFFAOYSA-N
XLogP3.45
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methoxy-4-[(2-methylphenoxy)methyl]phenyl]methanamine
CID 106786180
2-[[4-(aminomethyl)-3-methoxyphenyl]methoxy]benzamide
CID 106786214
[2-methoxy-4-(1-phenylethoxymethyl)phenyl]methanamine
CID 106786215
[4-[(3,4-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 106786175
[4-[(3,5-dichlorophenoxy)methyl]-2-methoxyphenyl]methanamine
CID 106786294
[2-methoxy-4-(2-methylpropoxymethyl)phenyl]methanamine
CID 106786198
[2-methoxy-4-[(4-propylphenoxy)methyl]phenyl]methanamine
CID 106786322
[2-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 19627406
[4-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine
CID 106786393
N-methyl-1-[3-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine
CID 63647224
[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 63647898
[3-[(2-methylsulfanylphenoxy)methyl]phenyl]boronic acid
CID 63647184

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine?
The IUPAC name of [2-methoxy-4-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine (CID 106786332) is [2-methoxy-4-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [2-methoxy-4-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [2-methoxy-4-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine is COc1cc(COc2ccccc2SC)ccc1CN.
What is the InChIKey of [2-methoxy-4-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine?
The InChIKey is BRYWCMIYPUBTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-18-15-9-12(7-8-13(15)10-17)11-19-14-5-3-4-6-16(14)20-2/h3-9H,10-11,17H2,1-2H3.
What are the key properties of [2-methoxy-4-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine?
[2-methoxy-4-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine has a molecular weight of 289.40 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 106786332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).