(Z)-1-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-N-morpholin-4-ylmethanimine

C19H21FN2O3 — CID 5414922

IUPAC(Z)-1-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-N-morpholin-4-ylmethanimine
SMILESCOc1ccc(/C=N\N2CCOCC2)cc1COc1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3/c1-23-19-7-2-15(13-21-22-8-10-24-11-9-22)12-16(19)14-25-18-5-3-17(20)4-6-18/h2-7,12-13H,8-11,14H2,1H3/b21-13-
InChIKeyUKYKKVDMGUHITH-BKUYFWCQSA-N
MW344.39 g/mol
LogP3.08
Rot. Bonds6

About (Z)-1-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-N-morpholin-4-ylmethanimine

(Z)-1-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-N-morpholin-4-ylmethanimine (PubChem CID 5414922) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is (Z)-1-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-N-morpholin-4-ylmethanimine.

Molecular Properties

Compound Name(Z)-1-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-N-morpholin-4-ylmethanimine
PubChem CID5414922
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name(Z)-1-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-N-morpholin-4-ylmethanimine
SMILESCOc1ccc(/C=N\N2CCOCC2)cc1COc1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3/c1-23-19-7-2-15(13-21-22-8-10-24-11-9-22)12-16(19)14-25-18-5-3-17(20)4-6-18/h2-7,12-13H,8-11,14H2,1H3/b21-13-
InChIKeyUKYKKVDMGUHITH-BKUYFWCQSA-N
XLogP3.08
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-N-morpholin-4-ylmethanimine?
The IUPAC name of (Z)-1-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-N-morpholin-4-ylmethanimine (CID 5414922) is (Z)-1-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-N-morpholin-4-ylmethanimine.
What is the SMILES notation for (Z)-1-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-N-morpholin-4-ylmethanimine?
The canonical SMILES for (Z)-1-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-N-morpholin-4-ylmethanimine is COc1ccc(/C=N\N2CCOCC2)cc1COc1ccc(F)cc1.
What is the InChIKey of (Z)-1-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-N-morpholin-4-ylmethanimine?
The InChIKey is UKYKKVDMGUHITH-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-23-19-7-2-15(13-21-22-8-10-24-11-9-22)12-16(19)14-25-18-5-3-17(20)4-6-18/h2-7,12-13H,8-11,14H2,1H3/b21-13-.
What are the key properties of (Z)-1-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-N-morpholin-4-ylmethanimine?
(Z)-1-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-N-morpholin-4-ylmethanimine has a molecular weight of 344.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-N-morpholin-4-ylmethanimine is sourced from PubChem (CID 5414922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).