2-amino-1-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]ethanol

C18H19F3N2O2 — CID 141351162

IUPAC2-amino-1-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]ethanol
SMILESCC(O/N=C/c1ccccc1C(O)CN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H19F3N2O2/c1-12(13-6-4-7-15(9-13)18(19,20)21)25-23-11-14-5-2-3-8-16(14)17(24)10-22/h2-9,11-12,17,24H,10,22H2,1H3/b23-11+
InChIKeyXZECBAABTGPJNI-FOKLQQMPSA-N
MW352.36 g/mol
LogP3.81
Rot. Bonds6

About 2-amino-1-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]ethanol

2-amino-1-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]ethanol (PubChem CID 141351162) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 2-amino-1-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]ethanol
PubChem CID141351162
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name2-amino-1-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]ethanol
SMILESCC(O/N=C/c1ccccc1C(O)CN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H19F3N2O2/c1-12(13-6-4-7-15(9-13)18(19,20)21)25-23-11-14-5-2-3-8-16(14)17(24)10-22/h2-9,11-12,17,24H,10,22H2,1H3/b23-11+
InChIKeyXZECBAABTGPJNI-FOKLQQMPSA-N
XLogP3.81
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 134883923
CID 134883923
CID 134884033
CID 134884033
CID 22261599
CID 22261599
CID 59030235
CID 59030235
CID 67673742
CID 67673742
CID 67673743
CID 67673743
CID 72494448
CID 72494448
CID 88103843
CID 88103843
CID 89042287
CID 89042287
CID 117804947
CID 117804947
CID 123362743
CID 123362743
CID 123462344
CID 123462344

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]ethanol?
The IUPAC name of 2-amino-1-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]ethanol (CID 141351162) is 2-amino-1-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]ethanol?
The canonical SMILES for 2-amino-1-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]ethanol is CC(O/N=C/c1ccccc1C(O)CN)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-amino-1-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]ethanol?
The InChIKey is XZECBAABTGPJNI-FOKLQQMPSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-12(13-6-4-7-15(9-13)18(19,20)21)25-23-11-14-5-2-3-8-16(14)17(24)10-22/h2-9,11-12,17,24H,10,22H2,1H3/b23-11+.
What are the key properties of 2-amino-1-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]ethanol?
2-amino-1-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]ethanol has a molecular weight of 352.36 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]ethanol is sourced from PubChem (CID 141351162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).