1-[(E)-(4-fluorophenyl)methylideneamino]oxybutan-2-amine

C11H15FN2O — CID 58684150

IUPAC1-[(E)-(4-fluorophenyl)methylideneamino]oxybutan-2-amine
SMILESCCC(N)CO/N=C/c1ccc(F)cc1
InChIInChI=1S/C11H15FN2O/c1-2-11(13)8-15-14-7-9-3-5-10(12)6-4-9/h3-7,11H,2,8,13H2,1H3/b14-7+
InChIKeyMVXFYXOKKKAQAE-VGOFMYFVSA-N
MW210.25 g/mol
LogP1.91
Rot. Bonds5

About 1-[(E)-(4-fluorophenyl)methylideneamino]oxybutan-2-amine

1-[(E)-(4-fluorophenyl)methylideneamino]oxybutan-2-amine (PubChem CID 58684150) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-[(E)-(4-fluorophenyl)methylideneamino]oxybutan-2-amine.

Molecular Properties

Compound Name1-[(E)-(4-fluorophenyl)methylideneamino]oxybutan-2-amine
PubChem CID58684150
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name1-[(E)-(4-fluorophenyl)methylideneamino]oxybutan-2-amine
SMILESCCC(N)CO/N=C/c1ccc(F)cc1
InChIInChI=1S/C11H15FN2O/c1-2-11(13)8-15-14-7-9-3-5-10(12)6-4-9/h3-7,11H,2,8,13H2,1H3/b14-7+
InChIKeyMVXFYXOKKKAQAE-VGOFMYFVSA-N
XLogP1.91
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(3R)-3-amino-4-[(E)-(4-fluorophenyl)methylideneamino]oxybutan-2-one
CID 172985909
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methoxy]methanimine
CID 76856167
3-[(E)-(4-fluorophenyl)methylideneamino]oxypropan-1-amine
CID 58685118
ethyl 2-[[(E)-benzylideneamino]oxymethyl]-3-(4-fluorophenyl)-3-hydroxypropanoate
CID 11530312
1-[(4-fluorophenyl)methoxy]butan-2-amine
CID 22448356
(2R)-1-[(4-fluorophenyl)methoxy]butan-2-amine
CID 95964424
N-ethyl-1-(4-fluorophenyl)methanimine
CID 59798639
4-(ethoxyiminomethyl)aniline
CID 123299913
N-[(2,6-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine
CID 76856168
3-[(E)-benzylideneamino]oxy-2-fluoropropan-1-amine
CID 88596184
3-(benzylideneamino)oxy-2-fluoropropan-1-amine
CID 54426096
2-[(E)-(4-fluorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 47096591

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(4-fluorophenyl)methylideneamino]oxybutan-2-amine?
The IUPAC name of 1-[(E)-(4-fluorophenyl)methylideneamino]oxybutan-2-amine (CID 58684150) is 1-[(E)-(4-fluorophenyl)methylideneamino]oxybutan-2-amine.
What is the SMILES notation for 1-[(E)-(4-fluorophenyl)methylideneamino]oxybutan-2-amine?
The canonical SMILES for 1-[(E)-(4-fluorophenyl)methylideneamino]oxybutan-2-amine is CCC(N)CO/N=C/c1ccc(F)cc1.
What is the InChIKey of 1-[(E)-(4-fluorophenyl)methylideneamino]oxybutan-2-amine?
The InChIKey is MVXFYXOKKKAQAE-VGOFMYFVSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-2-11(13)8-15-14-7-9-3-5-10(12)6-4-9/h3-7,11H,2,8,13H2,1H3/b14-7+.
What are the key properties of 1-[(E)-(4-fluorophenyl)methylideneamino]oxybutan-2-amine?
1-[(E)-(4-fluorophenyl)methylideneamino]oxybutan-2-amine has a molecular weight of 210.25 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(4-fluorophenyl)methylideneamino]oxybutan-2-amine is sourced from PubChem (CID 58684150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).