N-(3,5-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine

C22H21NO — CID 1223207

IUPACN-(3,5-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine
SMILESCc1cc(C)cc(/N=C/c2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C22H21NO/c1-17-11-18(2)13-21(12-17)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+
InChIKeyXBUICWZIJJHGTM-HZHRSRAPSA-N
MW315.42 g/mol
LogP5.63
Rot. Bonds5

About N-(3,5-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine

N-(3,5-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine (PubChem CID 1223207) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine
PubChem CID1223207
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC NameN-(3,5-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine
SMILESCc1cc(C)cc(/N=C/c2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C22H21NO/c1-17-11-18(2)13-21(12-17)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+
InChIKeyXBUICWZIJJHGTM-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'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine?
The IUPAC name of N-(3,5-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine (CID 1223207) is N-(3,5-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine?
The canonical SMILES for N-(3,5-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine is Cc1cc(C)cc(/N=C/c2cccc(OCc3ccccc3)c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine?
The InChIKey is XBUICWZIJJHGTM-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H21NO/c1-17-11-18(2)13-21(12-17)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-(3,5-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine?
N-(3,5-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-(3,5-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine is sourced from PubChem (CID 1223207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).