N-methoxy-1-(2-methoxy-4-methylsulfanylphenyl)methanamine

C10H15NO2S — CID 117304523

IUPACN-methoxy-1-(2-methoxy-4-methylsulfanylphenyl)methanamine
SMILESCONCc1ccc(SC)cc1OC
InChIInChI=1S/C10H15NO2S/c1-12-10-6-9(14-3)5-4-8(10)7-11-13-2/h4-6,11H,7H2,1-3H3
InChIKeyLXLUYEUYFOPHCJ-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.07
Rot. Bonds5

About N-methoxy-1-(2-methoxy-4-methylsulfanylphenyl)methanamine

N-methoxy-1-(2-methoxy-4-methylsulfanylphenyl)methanamine (PubChem CID 117304523) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is N-methoxy-1-(2-methoxy-4-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound NameN-methoxy-1-(2-methoxy-4-methylsulfanylphenyl)methanamine
PubChem CID117304523
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC NameN-methoxy-1-(2-methoxy-4-methylsulfanylphenyl)methanamine
SMILESCONCc1ccc(SC)cc1OC
InChIInChI=1S/C10H15NO2S/c1-12-10-6-9(14-3)5-4-8(10)7-11-13-2/h4-6,11H,7H2,1-3H3
InChIKeyLXLUYEUYFOPHCJ-UHFFFAOYSA-N
XLogP2.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.07
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-[(methoxyamino)methyl]-5-methylsulfanylphenol
CID 117288786
1-(2-methoxy-4-methylsulfanylphenyl)propan-2-ol
CID 117303281
1-(2,3-difluoro-4-methoxyphenyl)-N-methoxymethanamine
CID 117291369
3-(2-methoxy-4-methylsulfanylphenyl)propanoic acid
CID 91881318
ethyl 2-(2-methoxy-4-methylsulfanylphenyl)acetate
CID 91881373
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine
CID 117330350
2-methoxy-4-methylsulfanylphenol
CID 11423824
2-(bromomethyl)-1-methoxy-4-methylsulfanylbenzene
CID 142016625
1-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-N-methoxymethanamine
CID 117330353
1-(4-chloro-2,5-dimethoxyphenyl)-N-methoxymethanamine
CID 117335514
N-methoxy-1-(4-methoxy-3-methylsulfanylphenyl)methanamine
CID 117304519
O-[2-(2-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine
CID 117304512

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(2-methoxy-4-methylsulfanylphenyl)methanamine?
The IUPAC name of N-methoxy-1-(2-methoxy-4-methylsulfanylphenyl)methanamine (CID 117304523) is N-methoxy-1-(2-methoxy-4-methylsulfanylphenyl)methanamine.
What is the SMILES notation for N-methoxy-1-(2-methoxy-4-methylsulfanylphenyl)methanamine?
The canonical SMILES for N-methoxy-1-(2-methoxy-4-methylsulfanylphenyl)methanamine is CONCc1ccc(SC)cc1OC.
What is the InChIKey of N-methoxy-1-(2-methoxy-4-methylsulfanylphenyl)methanamine?
The InChIKey is LXLUYEUYFOPHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-12-10-6-9(14-3)5-4-8(10)7-11-13-2/h4-6,11H,7H2,1-3H3.
What are the key properties of N-methoxy-1-(2-methoxy-4-methylsulfanylphenyl)methanamine?
N-methoxy-1-(2-methoxy-4-methylsulfanylphenyl)methanamine has a molecular weight of 213.30 g/mol, XLogP of 2.07, 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-4-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 117304523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).