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

C17H25F3N4O2 — CID 111032584

IUPAC2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
SMILESCC(C)CN1CCOC(C/N=C(\N)Nc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C17H25F3N4O2/c1-12(2)10-24-7-8-25-15(11-24)9-22-16(21)23-13-3-5-14(6-4-13)26-17(18,19)20/h3-6,12,15H,7-11H2,1-2H3,(H3,21,22,23)
InChIKeyCLVOHMCBRYGRBV-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.67
Rot. Bonds6

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

2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine (PubChem CID 111032584) has the molecular formula C17H25F3N4O2 and a molecular weight of 374.41 g/mol. Its IUPAC name is 2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine.

Molecular Properties

Compound Name2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
PubChem CID111032584
Molecular FormulaC17H25F3N4O2
Molecular Weight374.41 g/mol
Exact Mass374.19
IUPAC Name2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
SMILESCC(C)CN1CCOC(C/N=C(\N)Nc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C17H25F3N4O2/c1-12(2)10-24-7-8-25-15(11-24)9-22-16(21)23-13-3-5-14(6-4-13)26-17(18,19)20/h3-6,12,15H,7-11H2,1-2H3,(H3,21,22,23)
InChIKeyCLVOHMCBRYGRBV-UHFFFAOYSA-N
XLogP2.67
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.67
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'}

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Related Compounds

2-[(4-methylmorpholin-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111091294
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111032608
2-[(1-methylpyrrolidin-3-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111065345
2-(2-methylpropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 62378706
2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111042380
1-cyclohexyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111032554
2-[(1-propylpyrrolidin-3-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111081784
1-(3-methoxypropyl)-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(4-propan-2-yloxyphenyl)guanidine
CID 111494370
2-[2-(azepan-1-yl)ethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111057012
2-(3-pyrrolidin-1-ylpropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111034774
2-[(1-ethylpiperidin-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111803487
(1S)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 100842396

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine?
The IUPAC name of 2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine (CID 111032584) is 2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine.
What is the SMILES notation for 2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine?
The canonical SMILES for 2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine is CC(C)CN1CCOC(C/N=C(\N)Nc2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of 2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine?
The InChIKey is CLVOHMCBRYGRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N4O2/c1-12(2)10-24-7-8-25-15(11-24)9-22-16(21)23-13-3-5-14(6-4-13)26-17(18,19)20/h3-6,12,15H,7-11H2,1-2H3,(H3,21,22,23).
What are the key properties of 2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine?
2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine has a molecular weight of 374.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine is sourced from PubChem (CID 111032584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).