1-(4-methoxyphenyl)-N-(3-methylphenyl)-1-phenylmethanimine

C21H19NO — CID 144623857

IUPAC1-(4-methoxyphenyl)-N-(3-methylphenyl)-1-phenylmethanimine
SMILESCOc1ccc(/C(=N/c2cccc(C)c2)c2ccccc2)cc1
InChIInChI=1S/C21H19NO/c1-16-7-6-10-19(15-16)22-21(17-8-4-3-5-9-17)18-11-13-20(23-2)14-12-18/h3-15H,1-2H3/b22-21+
InChIKeyYJEOQWJPZTVZKX-QURGRASLSA-N
MW301.39 g/mol
LogP5.17
Rot. Bonds4

About 1-(4-methoxyphenyl)-N-(3-methylphenyl)-1-phenylmethanimine

1-(4-methoxyphenyl)-N-(3-methylphenyl)-1-phenylmethanimine (PubChem CID 144623857) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(3-methylphenyl)-1-phenylmethanimine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(3-methylphenyl)-1-phenylmethanimine
PubChem CID144623857
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name1-(4-methoxyphenyl)-N-(3-methylphenyl)-1-phenylmethanimine
SMILESCOc1ccc(/C(=N/c2cccc(C)c2)c2ccccc2)cc1
InChIInChI=1S/C21H19NO/c1-16-7-6-10-19(15-16)22-21(17-8-4-3-5-9-17)18-11-13-20(23-2)14-12-18/h3-15H,1-2H3/b22-21+
InChIKeyYJEOQWJPZTVZKX-QURGRASLSA-N
XLogP5.17
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.39
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-bis(3-methylphenyl)-N-phenylmethanimine
CID 59167245
N-(3,5-dimethylphenyl)-1,1-diphenylmethanimine
CID 11033428
CID 59957109
CID 59957109
N-(6-methoxyisoquinolin-4-yl)-1,1-diphenylmethanimine
CID 170773840
3-methoxy-N'-phenylbenzenecarboximidamide
CID 70654752
1-[2,2-bis(4-methoxyphenyl)ethenyl]-3-methylbenzene
CID 162409717
(E)-N-methoxy-1-(4-methoxyphenyl)-1-(4-methylphenyl)methanimine
CID 11357279
N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide
CID 108537853
1-N,4-N-bis[4-(4-methoxy-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59738736
4-methyl-N'-(3-methylphenyl)-N-phenylmethoxybenzenecarboximidamide
CID 12966226
anisole;1-phenylethanone;toluene
CID 157308620
[N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]-[3-[N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]azanidylpropyl]azanide
CID 101430985

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(3-methylphenyl)-1-phenylmethanimine?
The IUPAC name of 1-(4-methoxyphenyl)-N-(3-methylphenyl)-1-phenylmethanimine (CID 144623857) is 1-(4-methoxyphenyl)-N-(3-methylphenyl)-1-phenylmethanimine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(3-methylphenyl)-1-phenylmethanimine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(3-methylphenyl)-1-phenylmethanimine is COc1ccc(/C(=N/c2cccc(C)c2)c2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(3-methylphenyl)-1-phenylmethanimine?
The InChIKey is YJEOQWJPZTVZKX-QURGRASLSA-N. The full InChI is InChI=1S/C21H19NO/c1-16-7-6-10-19(15-16)22-21(17-8-4-3-5-9-17)18-11-13-20(23-2)14-12-18/h3-15H,1-2H3/b22-21+.
What are the key properties of 1-(4-methoxyphenyl)-N-(3-methylphenyl)-1-phenylmethanimine?
1-(4-methoxyphenyl)-N-(3-methylphenyl)-1-phenylmethanimine has a molecular weight of 301.39 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(3-methylphenyl)-1-phenylmethanimine is sourced from PubChem (CID 144623857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).