4-[2-(hydroxymethyl)morpholin-4-yl]-2-(trifluoromethyl)benzenecarboximidamide

C13H16F3N3O2 — CID 81195077

IUPAC4-[2-(hydroxymethyl)morpholin-4-yl]-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCOC(CO)C2)cc1C(F)(F)F
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)11-5-8(1-2-10(11)12(17)18)19-3-4-21-9(6-19)7-20/h1-2,5,9,20H,3-4,6-7H2,(H3,17,18)
InChIKeyTZBXVRQWEIGGEX-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.19
Rot. Bonds3

About 4-[2-(hydroxymethyl)morpholin-4-yl]-2-(trifluoromethyl)benzenecarboximidamide

4-[2-(hydroxymethyl)morpholin-4-yl]-2-(trifluoromethyl)benzenecarboximidamide (PubChem CID 81195077) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)morpholin-4-yl]-2-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)morpholin-4-yl]-2-(trifluoromethyl)benzenecarboximidamide
PubChem CID81195077
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name4-[2-(hydroxymethyl)morpholin-4-yl]-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCOC(CO)C2)cc1C(F)(F)F
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)11-5-8(1-2-10(11)12(17)18)19-3-4-21-9(6-19)7-20/h1-2,5,9,20H,3-4,6-7H2,(H3,17,18)
InChIKeyTZBXVRQWEIGGEX-UHFFFAOYSA-N
XLogP1.19
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.19
H-Bond Donors ≤ 53
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-[2-(hydroxymethyl)morpholin-4-yl]-4-methylbenzenecarboximidamide
CID 81202892
4-(3-ethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 43584574
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-(trifluoromethyl)benzenecarboximidamide
CID 102781481
2-amino-4-[2-(hydroxymethyl)morpholin-4-yl]benzoic acid
CID 104500811
2-methyl-4-(2-methylmorpholin-4-yl)benzenecarboximidamide
CID 81279659
[(2S)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol
CID 162439692
[(2R)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol
CID 166940465
4-(4-methylazepan-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 63624277
4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 103356345
4-(2,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 62330156
[4-(4-amino-3-methylphenyl)morpholin-2-yl]methanol
CID 81206062
5-(2-ethylmorpholin-4-yl)pyridine-2-carboximidamide
CID 115489519

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)morpholin-4-yl]-2-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 4-[2-(hydroxymethyl)morpholin-4-yl]-2-(trifluoromethyl)benzenecarboximidamide (CID 81195077) is 4-[2-(hydroxymethyl)morpholin-4-yl]-2-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 4-[2-(hydroxymethyl)morpholin-4-yl]-2-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 4-[2-(hydroxymethyl)morpholin-4-yl]-2-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCOC(CO)C2)cc1C(F)(F)F.
What is the InChIKey of 4-[2-(hydroxymethyl)morpholin-4-yl]-2-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is TZBXVRQWEIGGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c14-13(15,16)11-5-8(1-2-10(11)12(17)18)19-3-4-21-9(6-19)7-20/h1-2,5,9,20H,3-4,6-7H2,(H3,17,18).
What are the key properties of 4-[2-(hydroxymethyl)morpholin-4-yl]-2-(trifluoromethyl)benzenecarboximidamide?
4-[2-(hydroxymethyl)morpholin-4-yl]-2-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 303.28 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)morpholin-4-yl]-2-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 81195077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).