2-(benzylideneamino)-1-[3-(trifluoromethyl)phenyl]propan-1-ol

C17H16F3NO — CID 134884033

IUPAC2-(benzylideneamino)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESCC(/N=C/c1ccccc1)C(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO/c1-12(21-11-13-6-3-2-4-7-13)16(22)14-8-5-9-15(10-14)17(18,19)20/h2-12,16,22H,1H3/b21-11+
InChIKeyFRBULIYCZDWGEA-SRZZPIQSSA-N
MW307.31 g/mol
LogP4.25
Rot. Bonds4

About 2-(benzylideneamino)-1-[3-(trifluoromethyl)phenyl]propan-1-ol

2-(benzylideneamino)-1-[3-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 134884033) has the molecular formula C17H16F3NO and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-(benzylideneamino)-1-[3-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-(benzylideneamino)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID134884033
Molecular FormulaC17H16F3NO
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Name2-(benzylideneamino)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESCC(/N=C/c1ccccc1)C(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO/c1-12(21-11-13-6-3-2-4-7-13)16(22)14-8-5-9-15(10-14)17(18,19)20/h2-12,16,22H,1H3/b21-11+
InChIKeyFRBULIYCZDWGEA-SRZZPIQSSA-N
XLogP4.25
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-((p-Fluorobenzylidene)amino)-3-phenyl-1-propanol
CID 208995
(E)-2-(Benzylideneamino)-1-phenylethanol
CID 2841414
(1S,2R)-2-[methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]amino]-1-phenylpropan-1-ol
CID 134850408
2-(Benzylideneamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 134883923
2-(Benzylideneamino)-1-phenyl-1-propanol
CID 3342267
(1R)-2-[[(2R)-1-phenylpropan-2-yl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 9861987
(1RS,2SR)-2-amino-3-[3-(1,2-difluoro-2-methylpropyl)phenyl]-1-(4-fluorophenyl)propan-1-ol
CID 22261527
(1RS,2SR)-2-amino-3-[3-(1,1-difluoroethyl)phenyl]-1-(4-fluorophenyl)-1-propanol
CID 22261599
(1RS,2SR)-2-amino-1-(4-fluorophenyl)-3-[3-(2,2,3,3-tetrafluoropropyl)phenyl]propan-1-ol
CID 22261956
(1RS,2SR)-2-amino-1-(4-fluorophenyl)-3-(3-(trifluoromethyl)phenyl)-1-propanol
CID 22261995
5-[Methyl(2-phenylethyl)amino]-1-[3-(trifluoromethyl)phenyl]pentan-1-ol
CID 54543116
2-[2-[4-(4-Fluorophenyl)butan-2-yl]pyrrol-2-yl]-1-phenylethanol
CID 57010627

Frequently Asked Questions

What is the IUPAC name of 2-(benzylideneamino)-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 2-(benzylideneamino)-1-[3-(trifluoromethyl)phenyl]propan-1-ol (CID 134884033) is 2-(benzylideneamino)-1-[3-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-(benzylideneamino)-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 2-(benzylideneamino)-1-[3-(trifluoromethyl)phenyl]propan-1-ol is CC(/N=C/c1ccccc1)C(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(benzylideneamino)-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is FRBULIYCZDWGEA-SRZZPIQSSA-N. The full InChI is InChI=1S/C17H16F3NO/c1-12(21-11-13-6-3-2-4-7-13)16(22)14-8-5-9-15(10-14)17(18,19)20/h2-12,16,22H,1H3/b21-11+.
What are the key properties of 2-(benzylideneamino)-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
2-(benzylideneamino)-1-[3-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 307.31 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylideneamino)-1-[3-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 134884033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).