N-(4-ethoxyphenyl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine

C23H22FNO3 — CID 4736660

IUPACN-(4-ethoxyphenyl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine
SMILESCCOc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1
InChIInChI=1S/C23H22FNO3/c1-3-27-21-11-9-20(10-12-21)25-15-18-6-13-22(23(14-18)26-2)28-16-17-4-7-19(24)8-5-17/h4-15H,3,16H2,1-2H3/b25-15+
InChIKeyBJWJNDGHFDIWJL-MFKUBSTISA-N
MW379.43 g/mol
LogP5.56
Rot. Bonds8

About N-(4-ethoxyphenyl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine

N-(4-ethoxyphenyl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine (PubChem CID 4736660) has the molecular formula C23H22FNO3 and a molecular weight of 379.43 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine
PubChem CID4736660
Molecular FormulaC23H22FNO3
Molecular Weight379.43 g/mol
Exact Mass379.16
IUPAC NameN-(4-ethoxyphenyl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine
SMILESCCOc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1
InChIInChI=1S/C23H22FNO3/c1-3-27-21-11-9-20(10-12-21)25-15-18-6-13-22(23(14-18)26-2)28-16-17-4-7-19(24)8-5-17/h4-15H,3,16H2,1-2H3/b25-15+
InChIKeyBJWJNDGHFDIWJL-MFKUBSTISA-N
XLogP5.56
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.43
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-N-(4-methoxyphenyl)methanimine
CID 126218213
1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-ethoxyphenyl)methanimine
CID 126223346
1-(4-ethoxy-3-methoxyphenyl)-N-[(4-fluorophenyl)methoxy]methanimine
CID 76856065
1-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-phenoxyphenyl)methanimine
CID 126209247
1-[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126221363
N-(2,3-dimethylphenyl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine
CID 126207011
methyl N-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]carbamate
CID 9075501
1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(4-ethoxyphenyl)methanimine
CID 126223204
4-ethoxy-N-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 126325384
(NZ)-N-[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 91681635
1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methoxyphenyl)methanimine
CID 1018502
1-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 51342273

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine?
The IUPAC name of N-(4-ethoxyphenyl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine (CID 4736660) is N-(4-ethoxyphenyl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine?
The canonical SMILES for N-(4-ethoxyphenyl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine is CCOc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine?
The InChIKey is BJWJNDGHFDIWJL-MFKUBSTISA-N. The full InChI is InChI=1S/C23H22FNO3/c1-3-27-21-11-9-20(10-12-21)25-15-18-6-13-22(23(14-18)26-2)28-16-17-4-7-19(24)8-5-17/h4-15H,3,16H2,1-2H3/b25-15+.
What are the key properties of N-(4-ethoxyphenyl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine?
N-(4-ethoxyphenyl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine has a molecular weight of 379.43 g/mol, XLogP of 5.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine is sourced from PubChem (CID 4736660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).