3-[1-(3-fluorophenyl)ethylideneamino]propan-1-ol

C11H14FNO — CID 143894961

IUPAC3-[1-(3-fluorophenyl)ethylideneamino]propan-1-ol
SMILESC/C(=N\CCCO)c1cccc(F)c1
InChIInChI=1S/C11H14FNO/c1-9(13-6-3-7-14)10-4-2-5-11(12)8-10/h2,4-5,8,14H,3,6-7H2,1H3/b13-9+
InChIKeyHARREBPTSKNAJT-UKTHLTGXSA-N
MW195.24 g/mol
LogP2.02
Rot. Bonds4

About 3-[1-(3-fluorophenyl)ethylideneamino]propan-1-ol

3-[1-(3-fluorophenyl)ethylideneamino]propan-1-ol (PubChem CID 143894961) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-[1-(3-fluorophenyl)ethylideneamino]propan-1-ol.

Molecular Properties

Compound Name3-[1-(3-fluorophenyl)ethylideneamino]propan-1-ol
PubChem CID143894961
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name3-[1-(3-fluorophenyl)ethylideneamino]propan-1-ol
SMILESC/C(=N\CCCO)c1cccc(F)c1
InChIInChI=1S/C11H14FNO/c1-9(13-6-3-7-14)10-4-2-5-11(12)8-10/h2,4-5,8,14H,3,6-7H2,1H3/b13-9+
InChIKeyHARREBPTSKNAJT-UKTHLTGXSA-N
XLogP2.02
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]tellanylpropan-1-ol
CID 155523631
1-(4-fluorophenyl)-N-methylethanimine
CID 88225013
3-(Benzylideneamino)propan-1-ol
CID 232154
2-fluoro-1-phenyl-N-propan-2-ylethanimine
CID 101419520
N-butyl-1-(4-fluorophenyl)ethan-1-imine
CID 164888796
1-(4-fluorophenyl)-N-propylethanimine
CID 176433693
Benzylideneamino-1-hydroxylethane
CID 66697160
Benzylideneaminopropanol
CID 67428659
2-[(2-Fluorophenyl)methylideneamino]-2-methylpropan-1-ol
CID 272297
2-{(E)-[(3-Fluorophenyl)methylidene]amino}-2-methylpropan-1-ol
CID 272298
1-(4-fluorophenyl)-N-prop-2-enylethanimine
CID 13128427
1-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)methanimine oxide
CID 20640178

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluorophenyl)ethylideneamino]propan-1-ol?
The IUPAC name of 3-[1-(3-fluorophenyl)ethylideneamino]propan-1-ol (CID 143894961) is 3-[1-(3-fluorophenyl)ethylideneamino]propan-1-ol.
What is the SMILES notation for 3-[1-(3-fluorophenyl)ethylideneamino]propan-1-ol?
The canonical SMILES for 3-[1-(3-fluorophenyl)ethylideneamino]propan-1-ol is C/C(=N\CCCO)c1cccc(F)c1.
What is the InChIKey of 3-[1-(3-fluorophenyl)ethylideneamino]propan-1-ol?
The InChIKey is HARREBPTSKNAJT-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H14FNO/c1-9(13-6-3-7-14)10-4-2-5-11(12)8-10/h2,4-5,8,14H,3,6-7H2,1H3/b13-9+.
What are the key properties of 3-[1-(3-fluorophenyl)ethylideneamino]propan-1-ol?
3-[1-(3-fluorophenyl)ethylideneamino]propan-1-ol has a molecular weight of 195.24 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluorophenyl)ethylideneamino]propan-1-ol is sourced from PubChem (CID 143894961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).