(E)-N-[(3-fluorophenyl)methyl]-N'-phenylmethoxyethane-1,2-diimine

C16H15FN2O — CID 172947101

IUPAC(E)-N-[(3-fluorophenyl)methyl]-N'-phenylmethoxyethane-1,2-diimine
SMILESFc1cccc(C/N=C/C=N/OCc2ccccc2)c1
InChIInChI=1S/C16H15FN2O/c17-16-8-4-7-15(11-16)12-18-9-10-19-20-13-14-5-2-1-3-6-14/h1-11H,12-13H2/b18-9+,19-10+
InChIKeyQQSXKNKTGUVNEU-VNIJRHKQSA-N
MW270.31 g/mol
LogP3.60
Rot. Bonds6

About (E)-N-[(3-fluorophenyl)methyl]-N'-phenylmethoxyethane-1,2-diimine

(E)-N-[(3-fluorophenyl)methyl]-N'-phenylmethoxyethane-1,2-diimine (PubChem CID 172947101) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is (E)-N-[(3-fluorophenyl)methyl]-N'-phenylmethoxyethane-1,2-diimine.

Molecular Properties

Compound Name(E)-N-[(3-fluorophenyl)methyl]-N'-phenylmethoxyethane-1,2-diimine
PubChem CID172947101
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name(E)-N-[(3-fluorophenyl)methyl]-N'-phenylmethoxyethane-1,2-diimine
SMILESFc1cccc(C/N=C/C=N/OCc2ccccc2)c1
InChIInChI=1S/C16H15FN2O/c17-16-8-4-7-15(11-16)12-18-9-10-19-20-13-14-5-2-1-3-6-14/h1-11H,12-13H2/b18-9+,19-10+
InChIKeyQQSXKNKTGUVNEU-VNIJRHKQSA-N
XLogP3.60
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-benzyl-2-phenylmethoxyethanimine oxide
CID 11832006
Cinnamic aldehyde, PFBO # 1
CID 91752818
3-Phenylpropionaldehyde O-pentafluorophenylmethyl-oxime
CID 91727495
Phenylacetaldehyde O-pentafluorophenylmethyl-oxime
CID 91727496
(E)-N-[(4-fluorophenyl)methoxy]ethanimine
CID 14128517
(E)-1-(4-fluorophenyl)-N-phenylmethoxymethanimine
CID 60372020
1-(4-fluorophenyl)-N-phenylmethoxymethanimine
CID 75981073
1-(2-fluorophenyl)-N-phenylmethoxymethanimine
CID 75981143
(2-Fluoro-benzyloxy)-benzylamine
CID 86761305
N-[(4-fluorophenyl)methoxy]ethanimine
CID 88027586
(E)-2-fluoro-N-phenylmethoxyethanimine
CID 129292476
(E)-N-[(3-fluorophenyl)methoxy]ethanimine
CID 140070152

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3-fluorophenyl)methyl]-N'-phenylmethoxyethane-1,2-diimine?
The IUPAC name of (E)-N-[(3-fluorophenyl)methyl]-N'-phenylmethoxyethane-1,2-diimine (CID 172947101) is (E)-N-[(3-fluorophenyl)methyl]-N'-phenylmethoxyethane-1,2-diimine.
What is the SMILES notation for (E)-N-[(3-fluorophenyl)methyl]-N'-phenylmethoxyethane-1,2-diimine?
The canonical SMILES for (E)-N-[(3-fluorophenyl)methyl]-N'-phenylmethoxyethane-1,2-diimine is Fc1cccc(C/N=C/C=N/OCc2ccccc2)c1.
What is the InChIKey of (E)-N-[(3-fluorophenyl)methyl]-N'-phenylmethoxyethane-1,2-diimine?
The InChIKey is QQSXKNKTGUVNEU-VNIJRHKQSA-N. The full InChI is InChI=1S/C16H15FN2O/c17-16-8-4-7-15(11-16)12-18-9-10-19-20-13-14-5-2-1-3-6-14/h1-11H,12-13H2/b18-9+,19-10+.
What are the key properties of (E)-N-[(3-fluorophenyl)methyl]-N'-phenylmethoxyethane-1,2-diimine?
(E)-N-[(3-fluorophenyl)methyl]-N'-phenylmethoxyethane-1,2-diimine has a molecular weight of 270.31 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3-fluorophenyl)methyl]-N'-phenylmethoxyethane-1,2-diimine is sourced from PubChem (CID 172947101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).