N'-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-4-carboximidamide

C14H18F3N3O2 — CID 75493971

IUPACN'-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-4-carboximidamide
SMILESN/C(=N\CCc1ccc(OC(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C14H18F3N3O2/c15-14(16,17)22-12-3-1-11(2-4-12)5-6-19-13(18)20-7-9-21-10-8-20/h1-4H,5-10H2,(H2,18,19)
InChIKeySJSHKQFZHHIDKT-UHFFFAOYSA-N
MW317.31 g/mol
LogP1.77
Rot. Bonds4

About N'-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-4-carboximidamide

N'-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-4-carboximidamide (PubChem CID 75493971) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is N'-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-4-carboximidamide
PubChem CID75493971
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC NameN'-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-4-carboximidamide
SMILESN/C(=N\CCc1ccc(OC(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C14H18F3N3O2/c15-14(16,17)22-12-3-1-11(2-4-12)5-6-19-13(18)20-7-9-21-10-8-20/h1-4H,5-10H2,(H2,18,19)
InChIKeySJSHKQFZHHIDKT-UHFFFAOYSA-N
XLogP1.77
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[3-(4-chlorophenyl)propyl]morpholine-4-carboximidamide
CID 100674114
1-(2-morpholin-4-ylpropyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]guanidine
CID 111598626
N'-[N'-[[4-(trifluoromethoxy)phenyl]methyl]carbamimidoyl]pyrrolidine-1-carboximidamide
CID 78093565
N'-[N'-[[4-(trifluoromethoxy)phenyl]methyl]carbamimidoyl]pyrrolidine-1-carboximidamide
CID 71513643
N'-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]morpholine-4-carboximidamide
CID 122096289
N'-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-1-carboximidamide
CID 111091169
N'-[2-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboximidamide
CID 111071957
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide
CID 111025571
1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]guanidine
CID 111597788
2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111033518
N'-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919473
4-(4-fluorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111024115

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-4-carboximidamide (CID 75493971) is N'-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-4-carboximidamide is N/C(=N\CCc1ccc(OC(F)(F)F)cc1)N1CCOCC1.
What is the InChIKey of N'-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-4-carboximidamide?
The InChIKey is SJSHKQFZHHIDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c15-14(16,17)22-12-3-1-11(2-4-12)5-6-19-13(18)20-7-9-21-10-8-20/h1-4H,5-10H2,(H2,18,19).
What are the key properties of N'-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-4-carboximidamide?
N'-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-4-carboximidamide has a molecular weight of 317.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-4-carboximidamide is sourced from PubChem (CID 75493971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).