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

C19H20FNO — CID 152757650

IUPAC(Z)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethanimine
SMILESCc1ccc(/C(CC2CC2)=N\OCc2ccccc2)cc1F
InChIInChI=1S/C19H20FNO/c1-14-7-10-17(12-18(14)20)19(11-15-8-9-15)21-22-13-16-5-3-2-4-6-16/h2-7,10,12,15H,8-9,11,13H2,1H3/b21-19-
InChIKeyKZTBTEGBDNDYSX-VZCXRCSSSA-N
MW297.37 g/mol
LogP4.86
Rot. Bonds6

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

(Z)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethanimine (PubChem CID 152757650) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is (Z)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethanimine.

Molecular Properties

Compound Name(Z)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethanimine
PubChem CID152757650
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name(Z)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethanimine
SMILESCc1ccc(/C(CC2CC2)=N\OCc2ccccc2)cc1F
InChIInChI=1S/C19H20FNO/c1-14-7-10-17(12-18(14)20)19(11-15-8-9-15)21-22-13-16-5-3-2-4-6-16/h2-7,10,12,15H,8-9,11,13H2,1H3/b21-19-
InChIKeyKZTBTEGBDNDYSX-VZCXRCSSSA-N
XLogP4.86
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethanimine?
The IUPAC name of (Z)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethanimine (CID 152757650) is (Z)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethanimine.
What is the SMILES notation for (Z)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethanimine?
The canonical SMILES for (Z)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethanimine is Cc1ccc(/C(CC2CC2)=N\OCc2ccccc2)cc1F.
What is the InChIKey of (Z)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethanimine?
The InChIKey is KZTBTEGBDNDYSX-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H20FNO/c1-14-7-10-17(12-18(14)20)19(11-15-8-9-15)21-22-13-16-5-3-2-4-6-16/h2-7,10,12,15H,8-9,11,13H2,1H3/b21-19-.
What are the key properties of (Z)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethanimine?
(Z)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethanimine has a molecular weight of 297.37 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethanimine is sourced from PubChem (CID 152757650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).