2-methyl-1-(2-morpholin-4-ylethyl)-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]guanidine

C17H25F3N4O2 — CID 111073021

IUPAC2-methyl-1-(2-morpholin-4-ylethyl)-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]guanidine
SMILESC/N=C(/NCCOc1cccc(C(F)(F)F)c1)NCCN1CCOCC1
InChIInChI=1S/C17H25F3N4O2/c1-21-16(22-5-7-24-8-11-25-12-9-24)23-6-10-26-15-4-2-3-14(13-15)17(18,19)20/h2-4,13H,5-12H2,1H3,(H2,21,22,23)
InChIKeyNFLMFMXDWCJODB-UHFFFAOYSA-N
MW374.41 g/mol
LogP1.58
Rot. Bonds7

About 2-methyl-1-(2-morpholin-4-ylethyl)-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]guanidine

2-methyl-1-(2-morpholin-4-ylethyl)-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]guanidine (PubChem CID 111073021) has the molecular formula C17H25F3N4O2 and a molecular weight of 374.41 g/mol. Its IUPAC name is 2-methyl-1-(2-morpholin-4-ylethyl)-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-(2-morpholin-4-ylethyl)-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]guanidine
PubChem CID111073021
Molecular FormulaC17H25F3N4O2
Molecular Weight374.41 g/mol
Exact Mass374.19
IUPAC Name2-methyl-1-(2-morpholin-4-ylethyl)-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]guanidine
SMILESC/N=C(/NCCOc1cccc(C(F)(F)F)c1)NCCN1CCOCC1
InChIInChI=1S/C17H25F3N4O2/c1-21-16(22-5-7-24-8-11-25-12-9-24)23-6-10-26-15-4-2-3-14(13-15)17(18,19)20/h2-4,13H,5-12H2,1H3,(H2,21,22,23)
InChIKeyNFLMFMXDWCJODB-UHFFFAOYSA-N
XLogP1.58
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[3-(oxan-4-ylmethoxy)propyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]guanidine
CID 111643590
2-methyl-1-[2-(4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111026889
2-methyl-1-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-(2-phenoxyethyl)guanidine
CID 111004963
2-methyl-1-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-(2-piperidin-1-ylethyl)guanidine
CID 111416421
1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111047946
2-methyl-1-(2-morpholin-4-ylethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111037415
2-methyl-1-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-propylguanidine;hydroiodide
CID 111227284
2-methyl-1-[[3-(2-methylpropoxy)phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111082188
1-(1-methoxypropan-2-yl)-2-methyl-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]guanidine;hydroiodide
CID 111236374
2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-ylethyl)guanidine
CID 111062892
1-(2-hydroxy-2-phenylpropyl)-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111823554
1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111844759

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-morpholin-4-ylethyl)-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]guanidine?
The IUPAC name of 2-methyl-1-(2-morpholin-4-ylethyl)-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]guanidine (CID 111073021) is 2-methyl-1-(2-morpholin-4-ylethyl)-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]guanidine.
What is the SMILES notation for 2-methyl-1-(2-morpholin-4-ylethyl)-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]guanidine?
The canonical SMILES for 2-methyl-1-(2-morpholin-4-ylethyl)-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]guanidine is C/N=C(/NCCOc1cccc(C(F)(F)F)c1)NCCN1CCOCC1.
What is the InChIKey of 2-methyl-1-(2-morpholin-4-ylethyl)-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]guanidine?
The InChIKey is NFLMFMXDWCJODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N4O2/c1-21-16(22-5-7-24-8-11-25-12-9-24)23-6-10-26-15-4-2-3-14(13-15)17(18,19)20/h2-4,13H,5-12H2,1H3,(H2,21,22,23).
What are the key properties of 2-methyl-1-(2-morpholin-4-ylethyl)-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]guanidine?
2-methyl-1-(2-morpholin-4-ylethyl)-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]guanidine has a molecular weight of 374.41 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-morpholin-4-ylethyl)-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]guanidine is sourced from PubChem (CID 111073021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).