(Z)-1-(3-fluoro-4-methylphenyl)-2-methoxy-N-phenylmethoxyethanimine

C17H18FNO2 — CID 11254711

IUPAC(Z)-1-(3-fluoro-4-methylphenyl)-2-methoxy-N-phenylmethoxyethanimine
SMILESCOC/C(=N\OCc1ccccc1)c1ccc(C)c(F)c1
InChIInChI=1S/C17H18FNO2/c1-13-8-9-15(10-16(13)18)17(12-20-2)19-21-11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3/b19-17+
InChIKeyMLXCGHFYQVFSLZ-HTXNQAPBSA-N
MW287.33 g/mol
LogP3.70
Rot. Bonds6

About (Z)-1-(3-fluoro-4-methylphenyl)-2-methoxy-N-phenylmethoxyethanimine

(Z)-1-(3-fluoro-4-methylphenyl)-2-methoxy-N-phenylmethoxyethanimine (PubChem CID 11254711) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is (Z)-1-(3-fluoro-4-methylphenyl)-2-methoxy-N-phenylmethoxyethanimine.

Molecular Properties

Compound Name(Z)-1-(3-fluoro-4-methylphenyl)-2-methoxy-N-phenylmethoxyethanimine
PubChem CID11254711
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name(Z)-1-(3-fluoro-4-methylphenyl)-2-methoxy-N-phenylmethoxyethanimine
SMILESCOC/C(=N\OCc1ccccc1)c1ccc(C)c(F)c1
InChIInChI=1S/C17H18FNO2/c1-13-8-9-15(10-16(13)18)17(12-20-2)19-21-11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3/b19-17+
InChIKeyMLXCGHFYQVFSLZ-HTXNQAPBSA-N
XLogP3.70
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.70
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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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-fluoro-4-methylphenyl)-2-methoxy-N-phenylmethoxyethanimine?
The IUPAC name of (Z)-1-(3-fluoro-4-methylphenyl)-2-methoxy-N-phenylmethoxyethanimine (CID 11254711) is (Z)-1-(3-fluoro-4-methylphenyl)-2-methoxy-N-phenylmethoxyethanimine.
What is the SMILES notation for (Z)-1-(3-fluoro-4-methylphenyl)-2-methoxy-N-phenylmethoxyethanimine?
The canonical SMILES for (Z)-1-(3-fluoro-4-methylphenyl)-2-methoxy-N-phenylmethoxyethanimine is COC/C(=N\OCc1ccccc1)c1ccc(C)c(F)c1.
What is the InChIKey of (Z)-1-(3-fluoro-4-methylphenyl)-2-methoxy-N-phenylmethoxyethanimine?
The InChIKey is MLXCGHFYQVFSLZ-HTXNQAPBSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-13-8-9-15(10-16(13)18)17(12-20-2)19-21-11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3/b19-17+.
What are the key properties of (Z)-1-(3-fluoro-4-methylphenyl)-2-methoxy-N-phenylmethoxyethanimine?
(Z)-1-(3-fluoro-4-methylphenyl)-2-methoxy-N-phenylmethoxyethanimine has a molecular weight of 287.33 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-fluoro-4-methylphenyl)-2-methoxy-N-phenylmethoxyethanimine is sourced from PubChem (CID 11254711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).