N-(4-fluoro-3-methylphenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine

C19H21FN2O2 — CID 126234636

IUPACN-(4-fluoro-3-methylphenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine
SMILESCOc1cc(N2CCOCC2)ccc1/C=N/c1ccc(F)c(C)c1
InChIInChI=1S/C19H21FN2O2/c1-14-11-16(4-6-18(14)20)21-13-15-3-5-17(12-19(15)23-2)22-7-9-24-10-8-22/h3-6,11-13H,7-10H2,1-2H3/b21-13+
InChIKeyAGKOMOBYBWFAQX-FYJGNVAPSA-N
MW328.39 g/mol
LogP3.73
Rot. Bonds4

About N-(4-fluoro-3-methylphenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine

N-(4-fluoro-3-methylphenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine (PubChem CID 126234636) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine
PubChem CID126234636
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC NameN-(4-fluoro-3-methylphenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine
SMILESCOc1cc(N2CCOCC2)ccc1/C=N/c1ccc(F)c(C)c1
InChIInChI=1S/C19H21FN2O2/c1-14-11-16(4-6-18(14)20)21-13-15-3-5-17(12-19(15)23-2)22-7-9-24-10-8-22/h3-6,11-13H,7-10H2,1-2H3/b21-13+
InChIKeyAGKOMOBYBWFAQX-FYJGNVAPSA-N
XLogP3.73
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-Methoxy-4-(morpholin-4-yl)benzylidene]propanedinitrile
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Cambridge id 5417476
CID 782213
1-(4-methoxyphenyl)-N-(4-morpholinophenyl)methanimine
CID 961175
1,2,4-Trifluoro-3-piperidyldibenzo[b,f]1,4-oxazepine
CID 4914428
4-(3'-methyl-2,2'-spirobi[2H-1-benzopyran]-7-yl)morpholine
CID 112205
[6-(Dimethylamino)-9-(4-fluorophenyl)xanthen-3-ylidene]-dimethylazanium
CID 154715794
5-(Diethylamino)-2-{[(4-ethoxyphenyl)imino]methyl}phenol
CID 693227
N-[4-(Dimethylamino)benzylidene]-3-methoxyaniline
CID 693756
Cambridge id 5417126
CID 782201
3-[(4-Morpholin-4-ylphenyl)methylideneamino]phenol
CID 2356379
4-(3-Methoxy-4-methylphenyl)morpholine
CID 22896545

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine (CID 126234636) is N-(4-fluoro-3-methylphenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine is COc1cc(N2CCOCC2)ccc1/C=N/c1ccc(F)c(C)c1.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine?
The InChIKey is AGKOMOBYBWFAQX-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-14-11-16(4-6-18(14)20)21-13-15-3-5-17(12-19(15)23-2)22-7-9-24-10-8-22/h3-6,11-13H,7-10H2,1-2H3/b21-13+.
What are the key properties of N-(4-fluoro-3-methylphenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine?
N-(4-fluoro-3-methylphenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine has a molecular weight of 328.39 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine is sourced from PubChem (CID 126234636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).