(E)-1-(3-fluorophenyl)-N-[(E)-2-phenylmethoxyethylideneamino]ethanimine

C17H17FN2O — CID 141009039

IUPAC(E)-1-(3-fluorophenyl)-N-[(E)-2-phenylmethoxyethylideneamino]ethanimine
SMILESC/C(=N\N=C\COCc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C17H17FN2O/c1-14(16-8-5-9-17(18)12-16)20-19-10-11-21-13-15-6-3-2-4-7-15/h2-10,12H,11,13H2,1H3/b19-10+,20-14+
InChIKeyXUKZPUWSYQTHQG-GNUCVDFRSA-N
MW284.33 g/mol
LogP3.84
Rot. Bonds6

About (E)-1-(3-fluorophenyl)-N-[(E)-2-phenylmethoxyethylideneamino]ethanimine

(E)-1-(3-fluorophenyl)-N-[(E)-2-phenylmethoxyethylideneamino]ethanimine (PubChem CID 141009039) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is (E)-1-(3-fluorophenyl)-N-[(E)-2-phenylmethoxyethylideneamino]ethanimine.

Molecular Properties

Compound Name(E)-1-(3-fluorophenyl)-N-[(E)-2-phenylmethoxyethylideneamino]ethanimine
PubChem CID141009039
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name(E)-1-(3-fluorophenyl)-N-[(E)-2-phenylmethoxyethylideneamino]ethanimine
SMILESC/C(=N\N=C\COCc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C17H17FN2O/c1-14(16-8-5-9-17(18)12-16)20-19-10-11-21-13-15-6-3-2-4-7-15/h2-10,12H,11,13H2,1H3/b19-10+,20-14+
InChIKeyXUKZPUWSYQTHQG-GNUCVDFRSA-N
XLogP3.84
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-1-(3-fluorophenyl)-N-[(E)-2-phenylmethoxyethylideneamino]ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]amino]-N-methylmethanamine
CID 15038954
(E,2R)-3,3-difluoro-N,2-bis(phenylmethoxy)butan-1-imine
CID 15038957
(Z)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(4-fluorophenyl)-N-methoxyethanimine
CID 12011161
1-(2,4-difluorophenyl)-N-(2-methyl-1-phenylmethoxypropan-2-yl)methanimine oxide
CID 15516632
(E)-1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybutan-1-imine
CID 18507820
(E)-1-(4-fluorophenyl)-N-phenylmethoxybutan-1-imine
CID 18507902
(E)-1-(4-fluorophenyl)-N-phenylmethoxypentan-1-imine
CID 18507931
ethyl 4-fluoro-N-(1-phenylpropan-2-yl)benzenecarboximidate
CID 23330239
2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(4-fluorophenyl)-N-methoxyethanimine
CID 73176077
alpha-(2,4-Difluorophenyl)-n-[dimethyl(benzyloxymethyl)methyl]nitrone
CID 73197188
1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybutan-1-imine
CID 73447733
1-(4-fluorophenyl)-N-phenylmethoxybutan-1-imine
CID 73447746

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-fluorophenyl)-N-[(E)-2-phenylmethoxyethylideneamino]ethanimine?
The IUPAC name of (E)-1-(3-fluorophenyl)-N-[(E)-2-phenylmethoxyethylideneamino]ethanimine (CID 141009039) is (E)-1-(3-fluorophenyl)-N-[(E)-2-phenylmethoxyethylideneamino]ethanimine.
What is the SMILES notation for (E)-1-(3-fluorophenyl)-N-[(E)-2-phenylmethoxyethylideneamino]ethanimine?
The canonical SMILES for (E)-1-(3-fluorophenyl)-N-[(E)-2-phenylmethoxyethylideneamino]ethanimine is C/C(=N\N=C\COCc1ccccc1)c1cccc(F)c1.
What is the InChIKey of (E)-1-(3-fluorophenyl)-N-[(E)-2-phenylmethoxyethylideneamino]ethanimine?
The InChIKey is XUKZPUWSYQTHQG-GNUCVDFRSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-14(16-8-5-9-17(18)12-16)20-19-10-11-21-13-15-6-3-2-4-7-15/h2-10,12H,11,13H2,1H3/b19-10+,20-14+.
What are the key properties of (E)-1-(3-fluorophenyl)-N-[(E)-2-phenylmethoxyethylideneamino]ethanimine?
(E)-1-(3-fluorophenyl)-N-[(E)-2-phenylmethoxyethylideneamino]ethanimine has a molecular weight of 284.33 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-fluorophenyl)-N-[(E)-2-phenylmethoxyethylideneamino]ethanimine is sourced from PubChem (CID 141009039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).