N-(2-benzylsulfanylphenyl)-1-(4-methoxyphenyl)methanimine

C21H19NOS — CID 15326220

IUPACN-(2-benzylsulfanylphenyl)-1-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/C=N/c2ccccc2SCc2ccccc2)cc1
InChIInChI=1S/C21H19NOS/c1-23-19-13-11-17(12-14-19)15-22-20-9-5-6-10-21(20)24-16-18-7-3-2-4-8-18/h2-15H,16H2,1H3/b22-15+
InChIKeyQKIUGTQBQDFYHC-PXLXIMEGSA-N
MW333.46 g/mol
LogP5.74
Rot. Bonds6

About N-(2-benzylsulfanylphenyl)-1-(4-methoxyphenyl)methanimine

N-(2-benzylsulfanylphenyl)-1-(4-methoxyphenyl)methanimine (PubChem CID 15326220) has the molecular formula C21H19NOS and a molecular weight of 333.46 g/mol. Its IUPAC name is N-(2-benzylsulfanylphenyl)-1-(4-methoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(2-benzylsulfanylphenyl)-1-(4-methoxyphenyl)methanimine
PubChem CID15326220
Molecular FormulaC21H19NOS
Molecular Weight333.46 g/mol
Exact Mass333.12
IUPAC NameN-(2-benzylsulfanylphenyl)-1-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/C=N/c2ccccc2SCc2ccccc2)cc1
InChIInChI=1S/C21H19NOS/c1-23-19-13-11-17(12-14-19)15-22-20-9-5-6-10-21(20)24-16-18-7-3-2-4-8-18/h2-15H,16H2,1H3/b22-15+
InChIKeyQKIUGTQBQDFYHC-PXLXIMEGSA-N
XLogP5.74
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.46
LogP ≤ 55.74
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

1-(4-methoxyphenyl)-N-[2-[2-[2-[(4-methoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine
CID 71317432
1-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]benzene
CID 132500103
ethane;1-methoxy-4-[(2-methylphenyl)sulfanylmethyl]benzene
CID 91259984
(E)-1-(4-methoxyphenyl)-N-phenylmethoxymethanimine
CID 11499688
(E)-N-(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(4-methoxyphenyl)methanimine
CID 6863722
1-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
CID 778491
N-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)methanimine
CID 780574
2-[(4-phenylmethoxyphenyl)methylideneamino]phenol
CID 561470
2-benzylsulfanyl-4-(4-methoxyphenoxy)-1-nitrobenzene
CID 155676069
N-(2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)methanimine
CID 5201061
(E)-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylsulfanylmethyl]methanimine
CID 11057576
3-benzylsulfanyl-4-methoxybenzaldehyde
CID 146393669

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfanylphenyl)-1-(4-methoxyphenyl)methanimine?
The IUPAC name of N-(2-benzylsulfanylphenyl)-1-(4-methoxyphenyl)methanimine (CID 15326220) is N-(2-benzylsulfanylphenyl)-1-(4-methoxyphenyl)methanimine.
What is the SMILES notation for N-(2-benzylsulfanylphenyl)-1-(4-methoxyphenyl)methanimine?
The canonical SMILES for N-(2-benzylsulfanylphenyl)-1-(4-methoxyphenyl)methanimine is COc1ccc(/C=N/c2ccccc2SCc2ccccc2)cc1.
What is the InChIKey of N-(2-benzylsulfanylphenyl)-1-(4-methoxyphenyl)methanimine?
The InChIKey is QKIUGTQBQDFYHC-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H19NOS/c1-23-19-13-11-17(12-14-19)15-22-20-9-5-6-10-21(20)24-16-18-7-3-2-4-8-18/h2-15H,16H2,1H3/b22-15+.
What are the key properties of N-(2-benzylsulfanylphenyl)-1-(4-methoxyphenyl)methanimine?
N-(2-benzylsulfanylphenyl)-1-(4-methoxyphenyl)methanimine has a molecular weight of 333.46 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfanylphenyl)-1-(4-methoxyphenyl)methanimine is sourced from PubChem (CID 15326220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).