N-methoxy-1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)methanamine

C11H17NO2S — CID 117327472

IUPACN-methoxy-1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)methanamine
SMILESCONCc1c(SC)ccc(C)c1OC
InChIInChI=1S/C11H17NO2S/c1-8-5-6-10(15-4)9(7-12-14-3)11(8)13-2/h5-6,12H,7H2,1-4H3
InChIKeyBHIOWXOBXXXXSQ-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.38
Rot. Bonds5

About N-methoxy-1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)methanamine

N-methoxy-1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)methanamine (PubChem CID 117327472) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-methoxy-1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound NameN-methoxy-1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)methanamine
PubChem CID117327472
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-methoxy-1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)methanamine
SMILESCONCc1c(SC)ccc(C)c1OC
InChIInChI=1S/C11H17NO2S/c1-8-5-6-10(15-4)9(7-12-14-3)11(8)13-2/h5-6,12H,7H2,1-4H3
InChIKeyBHIOWXOBXXXXSQ-UHFFFAOYSA-N
XLogP2.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)ethanol
CID 117303285
2-methoxy-3-[(methoxyamino)methyl]-4-methylphenol
CID 117287079
1-(3,5-difluoro-2,6-dimethoxyphenyl)-N-methoxymethanamine
CID 117337456
1-(2-chloro-3-fluoro-6-methylphenyl)-N-methoxymethanamine
CID 117292243
1-(2,3-dimethoxy-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117323976
[1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentyl]methanamine
CID 117418169
N-methoxy-1-(4-methoxy-3-methylsulfanylphenyl)methanamine
CID 117304519
1-(3-chloro-2-methoxy-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117331664
1-(6-chloro-2,3-dimethylphenyl)-N-methoxymethanamine
CID 117288952
2-[(methoxyamino)methyl]-6-methyl-3-propan-2-ylphenol
CID 117299228
2-ethyl-1-fluoro-3-methoxy-4-methylbenzene
CID 167211953
1-(3-bromo-2,5,6-trimethoxyphenyl)-N-methoxymethanamine
CID 117491265

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)methanamine?
The IUPAC name of N-methoxy-1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)methanamine (CID 117327472) is N-methoxy-1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)methanamine.
What is the SMILES notation for N-methoxy-1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)methanamine?
The canonical SMILES for N-methoxy-1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)methanamine is CONCc1c(SC)ccc(C)c1OC.
What is the InChIKey of N-methoxy-1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)methanamine?
The InChIKey is BHIOWXOBXXXXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-8-5-6-10(15-4)9(7-12-14-3)11(8)13-2/h5-6,12H,7H2,1-4H3.
What are the key properties of N-methoxy-1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)methanamine?
N-methoxy-1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)methanamine has a molecular weight of 227.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 117327472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).