3-[(E)-(4-fluorophenyl)methylideneamino]oxypropan-1-amine

C10H13FN2O — CID 58685118

IUPAC3-[(E)-(4-fluorophenyl)methylideneamino]oxypropan-1-amine
SMILESNCCCO/N=C/c1ccc(F)cc1
InChIInChI=1S/C10H13FN2O/c11-10-4-2-9(3-5-10)8-13-14-7-1-6-12/h2-5,8H,1,6-7,12H2/b13-8+
InChIKeyYYDCIANTAHWWDD-MDWZMJQESA-N
MW196.23 g/mol
LogP1.52
Rot. Bonds5

About 3-[(E)-(4-fluorophenyl)methylideneamino]oxypropan-1-amine

3-[(E)-(4-fluorophenyl)methylideneamino]oxypropan-1-amine (PubChem CID 58685118) has the molecular formula C10H13FN2O and a molecular weight of 196.23 g/mol. Its IUPAC name is 3-[(E)-(4-fluorophenyl)methylideneamino]oxypropan-1-amine.

Molecular Properties

Compound Name3-[(E)-(4-fluorophenyl)methylideneamino]oxypropan-1-amine
PubChem CID58685118
Molecular FormulaC10H13FN2O
Molecular Weight196.23 g/mol
Exact Mass196.10
IUPAC Name3-[(E)-(4-fluorophenyl)methylideneamino]oxypropan-1-amine
SMILESNCCCO/N=C/c1ccc(F)cc1
InChIInChI=1S/C10H13FN2O/c11-10-4-2-9(3-5-10)8-13-14-7-1-6-12/h2-5,8H,1,6-7,12H2/b13-8+
InChIKeyYYDCIANTAHWWDD-MDWZMJQESA-N
XLogP1.52
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-N-[(4-fluorophenyl)methoxy]methanimine
CID 76856167
4-[(E)-4-[(E)-(4-hydroxyphenyl)methylideneamino]oxybutoxyiminomethyl]phenol
CID 139207565
1-[(E)-(4-fluorophenyl)methylideneamino]oxybutan-2-amine
CID 58684150
N-[(4-bromo-2-fluorophenyl)methoxy]-1-(4-fluorophenyl)methanimine
CID 76856145
(3R)-3-amino-4-[(E)-(4-fluorophenyl)methylideneamino]oxybutan-2-one
CID 172985909
N-[(2,6-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine
CID 76856168
(E)-1-(1-oxidopyridin-1-ium-4-yl)-N-[3-[(E)-(1-oxidopyridin-1-ium-4-yl)methylideneamino]oxypropoxy]methanimine
CID 12604360
4-[[(4-fluorophenyl)methylideneamino]oxymethyl]benzonitrile
CID 75265021
N-[(3-chlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine
CID 76856157
(E)-N-octoxy-1-phenylmethanimine
CID 25012804
(E)-N-heptoxy-1-phenylmethanimine
CID 11241455
2-[(E)-(4-fluorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 47096591

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(4-fluorophenyl)methylideneamino]oxypropan-1-amine?
The IUPAC name of 3-[(E)-(4-fluorophenyl)methylideneamino]oxypropan-1-amine (CID 58685118) is 3-[(E)-(4-fluorophenyl)methylideneamino]oxypropan-1-amine.
What is the SMILES notation for 3-[(E)-(4-fluorophenyl)methylideneamino]oxypropan-1-amine?
The canonical SMILES for 3-[(E)-(4-fluorophenyl)methylideneamino]oxypropan-1-amine is NCCCO/N=C/c1ccc(F)cc1.
What is the InChIKey of 3-[(E)-(4-fluorophenyl)methylideneamino]oxypropan-1-amine?
The InChIKey is YYDCIANTAHWWDD-MDWZMJQESA-N. The full InChI is InChI=1S/C10H13FN2O/c11-10-4-2-9(3-5-10)8-13-14-7-1-6-12/h2-5,8H,1,6-7,12H2/b13-8+.
What are the key properties of 3-[(E)-(4-fluorophenyl)methylideneamino]oxypropan-1-amine?
3-[(E)-(4-fluorophenyl)methylideneamino]oxypropan-1-amine has a molecular weight of 196.23 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(4-fluorophenyl)methylideneamino]oxypropan-1-amine is sourced from PubChem (CID 58685118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).