N-(3,4-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine

C22H21NO — CID 126214778

IUPACN-(3,4-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine
SMILESCc1ccc(/N=C/c2cccc(OCc3ccccc3)c2)cc1C
InChIInChI=1S/C22H21NO/c1-17-11-12-21(13-18(17)2)23-15-20-9-6-10-22(14-20)24-16-19-7-4-3-5-8-19/h3-15H,16H2,1-2H3/b23-15+
InChIKeyGVJRSDSGRUDFIN-HZHRSRAPSA-N
MW315.42 g/mol
LogP5.63
Rot. Bonds5

About N-(3,4-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine

N-(3,4-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine (PubChem CID 126214778) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine
PubChem CID126214778
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC NameN-(3,4-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine
SMILESCc1ccc(/N=C/c2cccc(OCc3ccccc3)c2)cc1C
InChIInChI=1S/C22H21NO/c1-17-11-12-21(13-18(17)2)23-15-20-9-6-10-22(14-20)24-16-19-7-4-3-5-8-19/h3-15H,16H2,1-2H3/b23-15+
InChIKeyGVJRSDSGRUDFIN-HZHRSRAPSA-N
XLogP5.63
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3,4-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine
CID 126218396
2-[3-[(3,4-dimethylphenyl)iminomethyl]phenoxy]acetic acid
CID 126205614
N-(3,5-dichlorophenyl)-1-(3-phenylmethoxyphenyl)methanimine
CID 2197856
(3-phenylmethoxyphenyl)methylidenehydrazine
CID 23916805
N-(3-chloro-4-methylphenyl)-1-[3-[(4-nitrophenyl)methoxy]phenyl]methanimine
CID 126206312
1-[4-[(4-bromophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126217206
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]methanamine
CID 110337182
1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine
CID 126218007
4-[[3-[(2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid
CID 126207463
N-(3-chloro-4-methylphenyl)-1-[3-[(2-fluorophenyl)methoxy]phenyl]methanimine
CID 126206500
1-(5-bromo-2-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine
CID 126208760
(5E)-2-(3,4-dimethylphenyl)imino-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137118120

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine?
The IUPAC name of N-(3,4-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine (CID 126214778) is N-(3,4-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine is Cc1ccc(/N=C/c2cccc(OCc3ccccc3)c2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine?
The InChIKey is GVJRSDSGRUDFIN-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H21NO/c1-17-11-12-21(13-18(17)2)23-15-20-9-6-10-22(14-20)24-16-19-7-4-3-5-8-19/h3-15H,16H2,1-2H3/b23-15+.
What are the key properties of N-(3,4-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine?
N-(3,4-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine has a molecular weight of 315.42 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine is sourced from PubChem (CID 126214778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).