2-[N-(2-hydroxyethyl)-4-[4-(trifluoromethyl)benzenecarboximidoyl]anilino]ethanol

C18H19F3N2O2 — CID 154649178

IUPAC2-[N-(2-hydroxyethyl)-4-[4-(trifluoromethyl)benzenecarboximidoyl]anilino]ethanol
SMILES[H]/N=C(\c1ccc(N(CCO)CCO)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O2/c19-18(20,21)15-5-1-13(2-6-15)17(22)14-3-7-16(8-4-14)23(9-11-24)10-12-25/h1-8,22,24-25H,9-12H2/b22-17-
InChIKeyMNZWBFUDWOFTJA-XLNRJJMWSA-N
MW352.36 g/mol
LogP2.91
Rot. Bonds7

About 2-[N-(2-hydroxyethyl)-4-[4-(trifluoromethyl)benzenecarboximidoyl]anilino]ethanol

2-[N-(2-hydroxyethyl)-4-[4-(trifluoromethyl)benzenecarboximidoyl]anilino]ethanol (PubChem CID 154649178) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 2-[N-(2-hydroxyethyl)-4-[4-(trifluoromethyl)benzenecarboximidoyl]anilino]ethanol.

Molecular Properties

Compound Name2-[N-(2-hydroxyethyl)-4-[4-(trifluoromethyl)benzenecarboximidoyl]anilino]ethanol
PubChem CID154649178
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name2-[N-(2-hydroxyethyl)-4-[4-(trifluoromethyl)benzenecarboximidoyl]anilino]ethanol
SMILES[H]/N=C(\c1ccc(N(CCO)CCO)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O2/c19-18(20,21)15-5-1-13(2-6-15)17(22)14-3-7-16(8-4-14)23(9-11-24)10-12-25/h1-8,22,24-25H,9-12H2/b22-17-
InChIKeyMNZWBFUDWOFTJA-XLNRJJMWSA-N
XLogP2.91
TPSA67.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[N-(2-hydroxyethyl)anilino]ethanol;2-[N-(2-hydroxyethyl)-4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]anilino]ethanol;4-[[4-(trifluoromethyl)phenyl]diazenyl]aniline
CID 157205842
2-[N-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]ethanol
CID 22734616
3-[N-ethyl-4-(trifluoromethyl)anilino]propan-1-ol
CID 113468933
(Z)-[[4-[bis(2-methoxyethyl)amino]phenyl]-[4-(trifluoromethyl)phenyl]methylidene]-iminoazanium
CID 162510666
4-[ethyl(2-hydroxyethyl)amino]benzenecarboximidamide
CID 60980240
1-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-hydroxy-2-methylpropan-1-one
CID 69093819
2-[4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)anilino]ethanol
CID 61244638
2-[4-amino-N-(2-hydroxyethyl)anilino]ethanol
CID 67612353
2-[4-(trifluoromethyl)phenyl]ethanimidamide
CID 5014974
N'-butyl-N'-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 62649946
methyl 4-[bis(2-hydroxyethyl)amino]benzoate
CID 14650314
2-[4-amino-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478278

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-hydroxyethyl)-4-[4-(trifluoromethyl)benzenecarboximidoyl]anilino]ethanol?
The IUPAC name of 2-[N-(2-hydroxyethyl)-4-[4-(trifluoromethyl)benzenecarboximidoyl]anilino]ethanol (CID 154649178) is 2-[N-(2-hydroxyethyl)-4-[4-(trifluoromethyl)benzenecarboximidoyl]anilino]ethanol.
What is the SMILES notation for 2-[N-(2-hydroxyethyl)-4-[4-(trifluoromethyl)benzenecarboximidoyl]anilino]ethanol?
The canonical SMILES for 2-[N-(2-hydroxyethyl)-4-[4-(trifluoromethyl)benzenecarboximidoyl]anilino]ethanol is [H]/N=C(\c1ccc(N(CCO)CCO)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[N-(2-hydroxyethyl)-4-[4-(trifluoromethyl)benzenecarboximidoyl]anilino]ethanol?
The InChIKey is MNZWBFUDWOFTJA-XLNRJJMWSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c19-18(20,21)15-5-1-13(2-6-15)17(22)14-3-7-16(8-4-14)23(9-11-24)10-12-25/h1-8,22,24-25H,9-12H2/b22-17-.
What are the key properties of 2-[N-(2-hydroxyethyl)-4-[4-(trifluoromethyl)benzenecarboximidoyl]anilino]ethanol?
2-[N-(2-hydroxyethyl)-4-[4-(trifluoromethyl)benzenecarboximidoyl]anilino]ethanol has a molecular weight of 352.36 g/mol, XLogP of 2.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-hydroxyethyl)-4-[4-(trifluoromethyl)benzenecarboximidoyl]anilino]ethanol is sourced from PubChem (CID 154649178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).