N-(4-phenoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine

C22H21NO4 — CID 4505600

IUPACN-(4-phenoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
SMILESCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(OC)c1OC
InChIInChI=1S/C22H21NO4/c1-24-20-13-16(14-21(25-2)22(20)26-3)15-23-17-9-11-19(12-10-17)27-18-7-5-4-6-8-18/h4-15H,1-3H3/b23-15+
InChIKeyILNMMPZYEPHJJO-HZHRSRAPSA-N
MW363.41 g/mol
LogP5.26
Rot. Bonds7

About N-(4-phenoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine

N-(4-phenoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine (PubChem CID 4505600) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
PubChem CID4505600
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC NameN-(4-phenoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
SMILESCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(OC)c1OC
InChIInChI=1S/C22H21NO4/c1-24-20-13-16(14-21(25-2)22(20)26-3)15-23-17-9-11-19(12-10-17)27-18-7-5-4-6-8-18/h4-15H,1-3H3/b23-15+
InChIKeyILNMMPZYEPHJJO-HZHRSRAPSA-N
XLogP5.26
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.41
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-6-methoxy-4-[(4-phenoxyphenyl)iminomethyl]phenol
CID 137149845
1-[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-N-(4-phenoxyphenyl)methanimine
CID 126223016
[2-iodo-6-methoxy-4-[(4-phenoxyphenyl)iminomethyl]phenyl] 4-methylbenzenesulfonate
CID 126219352
1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 4506437
1-[4-(2,4-dinitrophenoxy)-3-iodo-5-methoxyphenyl]-N-(4-phenoxyphenyl)methanimine
CID 126206396
1-(4-phenoxyphenyl)-N-phenylmethanimine
CID 690951
1-(3,5-dibromo-4-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126219590
1-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-phenoxyphenyl)methanimine
CID 126209247
1-(3-ethoxy-5-iodo-4-propoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126223775
N-[4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]acetamide
CID 694284
1-(4-fluorophenyl)-N-(4-phenoxyphenyl)methanimine
CID 932026
1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 126222022

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine?
The IUPAC name of N-(4-phenoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine (CID 4505600) is N-(4-phenoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine.
What is the SMILES notation for N-(4-phenoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine?
The canonical SMILES for N-(4-phenoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine is COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(OC)c1OC.
What is the InChIKey of N-(4-phenoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine?
The InChIKey is ILNMMPZYEPHJJO-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H21NO4/c1-24-20-13-16(14-21(25-2)22(20)26-3)15-23-17-9-11-19(12-10-17)27-18-7-5-4-6-8-18/h4-15H,1-3H3/b23-15+.
What are the key properties of N-(4-phenoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine?
N-(4-phenoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine has a molecular weight of 363.41 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine is sourced from PubChem (CID 4505600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).