1-(2-methoxyphenyl)-N-(3-methylsulfanylphenyl)methanimine

C15H15NOS — CID 620828

IUPAC1-(2-methoxyphenyl)-N-(3-methylsulfanylphenyl)methanimine
SMILESCOc1ccccc1/C=N/c1cccc(SC)c1
InChIInChI=1S/C15H15NOS/c1-17-15-9-4-3-6-12(15)11-16-13-7-5-8-14(10-13)18-2/h3-11H,1-2H3/b16-11+
InChIKeyMGOVYWDPPHEOJE-LFIBNONCSA-N
MW257.36 g/mol
LogP4.17
Rot. Bonds4

About 1-(2-methoxyphenyl)-N-(3-methylsulfanylphenyl)methanimine

1-(2-methoxyphenyl)-N-(3-methylsulfanylphenyl)methanimine (PubChem CID 620828) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-(3-methylsulfanylphenyl)methanimine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-(3-methylsulfanylphenyl)methanimine
PubChem CID620828
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name1-(2-methoxyphenyl)-N-(3-methylsulfanylphenyl)methanimine
SMILESCOc1ccccc1/C=N/c1cccc(SC)c1
InChIInChI=1S/C15H15NOS/c1-17-15-9-4-3-6-12(15)11-16-13-7-5-8-14(10-13)18-2/h3-11H,1-2H3/b16-11+
InChIKeyMGOVYWDPPHEOJE-LFIBNONCSA-N
XLogP4.17
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxybenzylidene)aniline
CID 98633
N-Benzylidene-p-anisidine
CID 262162
N-(2-Methoxybenzylidene)aniline
CID 564582
4-(2-Methoxybenzylideneamino)benzenesulfonamide
CID 564321
N-(2-Methoxybenzylidene)-P-anisidine
CID 961637
N-(2-Methoxybenzylidene)-P-toluidine
CID 913924
3-(2-methoxyphenyl)-2H-1,4-benzothiazine
CID 24905600
N-(3-Methoxybenzylidene)aniline
CID 555084
Benzenamine, 4-trifluoromethoxy-N-(4-methylthiobenzylidene)-
CID 628257
2-(2-Methoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
CID 317090
N-(4-difluoromethoxybenzylidene)-4-methylthioaniline
CID 21862828
n-(4-Fluoro-3-methoxybenzyliden)-4-methylsulfinylaniline
CID 22714661

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-(3-methylsulfanylphenyl)methanimine?
The IUPAC name of 1-(2-methoxyphenyl)-N-(3-methylsulfanylphenyl)methanimine (CID 620828) is 1-(2-methoxyphenyl)-N-(3-methylsulfanylphenyl)methanimine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-(3-methylsulfanylphenyl)methanimine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-(3-methylsulfanylphenyl)methanimine is COc1ccccc1/C=N/c1cccc(SC)c1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-(3-methylsulfanylphenyl)methanimine?
The InChIKey is MGOVYWDPPHEOJE-LFIBNONCSA-N. The full InChI is InChI=1S/C15H15NOS/c1-17-15-9-4-3-6-12(15)11-16-13-7-5-8-14(10-13)18-2/h3-11H,1-2H3/b16-11+.
What are the key properties of 1-(2-methoxyphenyl)-N-(3-methylsulfanylphenyl)methanimine?
1-(2-methoxyphenyl)-N-(3-methylsulfanylphenyl)methanimine has a molecular weight of 257.36 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-(3-methylsulfanylphenyl)methanimine is sourced from PubChem (CID 620828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).