N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline

C22H21FN2O2 — CID 169382469

IUPACN-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
SMILESCCOc1cc(C=NNc2ccccc2)ccc1OCc1ccccc1F
InChIInChI=1S/C22H21FN2O2/c1-2-26-22-14-17(15-24-25-19-9-4-3-5-10-19)12-13-21(22)27-16-18-8-6-7-11-20(18)23/h3-15,25H,2,16H2,1H3
InChIKeyAWKMDGGGCHPYGY-UHFFFAOYSA-N
MW364.42 g/mol
LogP5.25
Rot. Bonds8

About N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline

N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline (PubChem CID 169382469) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
PubChem CID169382469
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC NameN-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
SMILESCCOc1cc(C=NNc2ccccc2)ccc1OCc1ccccc1F
InChIInChI=1S/C22H21FN2O2/c1-2-26-22-14-17(15-24-25-19-9-4-3-5-10-19)12-13-21(22)27-16-18-8-6-7-11-20(18)23/h3-15,25H,2,16H2,1H3
InChIKeyAWKMDGGGCHPYGY-UHFFFAOYSA-N
XLogP5.25
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.42
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline
CID 110504955
3-chloro-N-[(E)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylaniline
CID 110506468
N'-[(Z)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-ethyloxamide
CID 8930776
N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]aniline
CID 169382210
6-[(2E)-2-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid
CID 110505702
3-chloro-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840215
N-[(E)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]pentanamide
CID 110506813
2-chloro-N-[(Z)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110509220
2-N-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 98095090
N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 110339740
N-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382744
N-(3,4-dichlorophenyl)-N'-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 5221192

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline?
The IUPAC name of N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline (CID 169382469) is N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline is CCOc1cc(C=NNc2ccccc2)ccc1OCc1ccccc1F.
What is the InChIKey of N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline?
The InChIKey is AWKMDGGGCHPYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c1-2-26-22-14-17(15-24-25-19-9-4-3-5-10-19)12-13-21(22)27-16-18-8-6-7-11-20(18)23/h3-15,25H,2,16H2,1H3.
What are the key properties of N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline?
N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline has a molecular weight of 364.42 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline is sourced from PubChem (CID 169382469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).