2-[(4-methylmorpholin-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine

C14H19F3N4O2 — CID 111091294

IUPAC2-[(4-methylmorpholin-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
SMILESCN1CCOC(C/N=C(\N)Nc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C14H19F3N4O2/c1-21-6-7-22-12(9-21)8-19-13(18)20-10-2-4-11(5-3-10)23-14(15,16)17/h2-5,12H,6-9H2,1H3,(H3,18,19,20)
InChIKeyDUOWZAUUVSYEQV-UHFFFAOYSA-N
MW332.33 g/mol
LogP1.64
Rot. Bonds4

About 2-[(4-methylmorpholin-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine

2-[(4-methylmorpholin-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine (PubChem CID 111091294) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is 2-[(4-methylmorpholin-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine.

Molecular Properties

Compound Name2-[(4-methylmorpholin-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
PubChem CID111091294
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC Name2-[(4-methylmorpholin-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
SMILESCN1CCOC(C/N=C(\N)Nc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C14H19F3N4O2/c1-21-6-7-22-12(9-21)8-19-13(18)20-10-2-4-11(5-3-10)23-14(15,16)17/h2-5,12H,6-9H2,1H3,(H3,18,19,20)
InChIKeyDUOWZAUUVSYEQV-UHFFFAOYSA-N
XLogP1.64
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4-methylmorpholin-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111032584
2-[(1-methylpyrrolidin-3-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111065345
1-(3,4-dimethoxyphenyl)-2-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 111091298
1-(3,4-dimethoxyphenyl)-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
CID 111091297
2-[(1-propylpyrrolidin-3-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111081784
2-(3-pyrrolidin-1-ylpropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111034774
2-[2-(azepan-1-yl)ethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111057012
2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111042380
2-[2-(azepan-1-yl)ethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111057011
1-[(2R)-4-methylmorpholin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 95275069
2-[(3,3-difluorocyclopentyl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 120665920
1-amino-2-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 79071224

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylmorpholin-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine?
The IUPAC name of 2-[(4-methylmorpholin-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine (CID 111091294) is 2-[(4-methylmorpholin-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine.
What is the SMILES notation for 2-[(4-methylmorpholin-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine?
The canonical SMILES for 2-[(4-methylmorpholin-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine is CN1CCOC(C/N=C(\N)Nc2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of 2-[(4-methylmorpholin-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine?
The InChIKey is DUOWZAUUVSYEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c1-21-6-7-22-12(9-21)8-19-13(18)20-10-2-4-11(5-3-10)23-14(15,16)17/h2-5,12H,6-9H2,1H3,(H3,18,19,20).
What are the key properties of 2-[(4-methylmorpholin-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine?
2-[(4-methylmorpholin-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine has a molecular weight of 332.33 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylmorpholin-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine is sourced from PubChem (CID 111091294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).