N'-[(2R)-2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]morpholine-4-carboximidamide

C16H23F3N4O — CID 129398571

IUPACN'-[(2R)-2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]morpholine-4-carboximidamide
SMILESCN(C)[C@@H](C/N=C(\N)N1CCOCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H23F3N4O/c1-22(2)14(11-21-15(20)23-6-8-24-9-7-23)12-4-3-5-13(10-12)16(17,18)19/h3-5,10,14H,6-9,11H2,1-2H3,(H2,20,21)/t14-/m0/s1
InChIKeyAZBKVIJVFZZOAU-AWEZNQCLSA-N
MW344.38 g/mol
LogP1.96
Rot. Bonds4

About N'-[(2R)-2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]morpholine-4-carboximidamide

N'-[(2R)-2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]morpholine-4-carboximidamide (PubChem CID 129398571) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is N'-[(2R)-2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(2R)-2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]morpholine-4-carboximidamide
PubChem CID129398571
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC NameN'-[(2R)-2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]morpholine-4-carboximidamide
SMILESCN(C)[C@@H](C/N=C(\N)N1CCOCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H23F3N4O/c1-22(2)14(11-21-15(20)23-6-8-24-9-7-23)12-4-3-5-13(10-12)16(17,18)19/h3-5,10,14H,6-9,11H2,1-2H3,(H2,20,21)/t14-/m0/s1
InChIKeyAZBKVIJVFZZOAU-AWEZNQCLSA-N
XLogP1.96
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 51.96
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'}

Analyze N'-[(2R)-2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]morpholine-4-carboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[(2R)-2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]morpholine-4-carboximidamide (CID 129398571) is N'-[(2R)-2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[(2R)-2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[(2R)-2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]morpholine-4-carboximidamide is CN(C)[C@@H](C/N=C(\N)N1CCOCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N'-[(2R)-2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]morpholine-4-carboximidamide?
The InChIKey is AZBKVIJVFZZOAU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23F3N4O/c1-22(2)14(11-21-15(20)23-6-8-24-9-7-23)12-4-3-5-13(10-12)16(17,18)19/h3-5,10,14H,6-9,11H2,1-2H3,(H2,20,21)/t14-/m0/s1.
What are the key properties of N'-[(2R)-2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]morpholine-4-carboximidamide?
N'-[(2R)-2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]morpholine-4-carboximidamide has a molecular weight of 344.38 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]morpholine-4-carboximidamide is sourced from PubChem (CID 129398571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).