1-(2,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)methanimine

C17H19NO2S — CID 10756725

IUPAC1-(2,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)methanimine
SMILESCOc1ccc(/C=N/CCSc2ccccc2)c(OC)c1
InChIInChI=1S/C17H19NO2S/c1-19-15-9-8-14(17(12-15)20-2)13-18-10-11-21-16-6-4-3-5-7-16/h3-9,12-13H,10-11H2,1-2H3/b18-13+
InChIKeyHVXBKVIKCJIQFS-QGOAFFKASA-N
MW301.41 g/mol
LogP3.91
Rot. Bonds7

About 1-(2,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)methanimine

1-(2,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)methanimine (PubChem CID 10756725) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)methanimine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)methanimine
PubChem CID10756725
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name1-(2,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)methanimine
SMILESCOc1ccc(/C=N/CCSc2ccccc2)c(OC)c1
InChIInChI=1S/C17H19NO2S/c1-19-15-9-8-14(17(12-15)20-2)13-18-10-11-21-16-6-4-3-5-7-16/h3-9,12-13H,10-11H2,1-2H3/b18-13+
InChIKeyHVXBKVIKCJIQFS-QGOAFFKASA-N
XLogP3.91
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-bromophenyl)sulfanylethyliminomethyl]-4-methoxyphenol
CID 135596106
1-(2,4-dimethoxyphenyl)-N-methylmethanimine
CID 518060
N-benzyl-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]aniline
CID 6047667
2-[2-(4-chlorophenyl)sulfanylethyliminomethyl]-6-methoxyphenol
CID 135847622
(1R)-1-[4-methoxy-2-(2-phenylsulfanylethoxy)phenyl]ethanol
CID 82003434
1-[(Z)-2-[2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,4-dimethoxybenzene
CID 171376648
2-[(E)-(2,4-dimethoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 6861399
N-[[4-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22684938
5-methoxy-2-[2-[(4-methoxy-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
CID 102108359
N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1-(2,4-dimethoxyphenyl)methanimine
CID 739195
2-[10-[(2-hydroxy-4-methoxyphenyl)methylideneamino]decyliminomethyl]-5-methoxyphenol
CID 136618032
N-[(2,5-dimethoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide
CID 10592618

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)methanimine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)methanimine (CID 10756725) is 1-(2,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)methanimine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)methanimine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)methanimine is COc1ccc(/C=N/CCSc2ccccc2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)methanimine?
The InChIKey is HVXBKVIKCJIQFS-QGOAFFKASA-N. The full InChI is InChI=1S/C17H19NO2S/c1-19-15-9-8-14(17(12-15)20-2)13-18-10-11-21-16-6-4-3-5-7-16/h3-9,12-13H,10-11H2,1-2H3/b18-13+.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)methanimine?
1-(2,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)methanimine has a molecular weight of 301.41 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)methanimine is sourced from PubChem (CID 10756725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).