(1E)-1-[(4-fluorophenyl)methoxyimino]propan-2-amine

C10H13FN2O — CID 58684892

IUPAC(1E)-1-[(4-fluorophenyl)methoxyimino]propan-2-amine
SMILESCC(N)/C=N/OCc1ccc(F)cc1
InChIInChI=1S/C10H13FN2O/c1-8(12)6-13-14-7-9-2-4-10(11)5-3-9/h2-6,8H,7,12H2,1H3/b13-6+
InChIKeyLLLUMKKFXMOVEL-AWNIVKPZSA-N
MW196.22 g/mol
LogP1.68
Rot. Bonds4

About (1E)-1-[(4-fluorophenyl)methoxyimino]propan-2-amine

(1E)-1-[(4-fluorophenyl)methoxyimino]propan-2-amine (PubChem CID 58684892) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is (1E)-1-[(4-fluorophenyl)methoxyimino]propan-2-amine.

Molecular Properties

Compound Name(1E)-1-[(4-fluorophenyl)methoxyimino]propan-2-amine
PubChem CID58684892
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name(1E)-1-[(4-fluorophenyl)methoxyimino]propan-2-amine
SMILESCC(N)/C=N/OCc1ccc(F)cc1
InChIInChI=1S/C10H13FN2O/c1-8(12)6-13-14-7-9-2-4-10(11)5-3-9/h2-6,8H,7,12H2,1H3/b13-6+
InChIKeyLLLUMKKFXMOVEL-AWNIVKPZSA-N
XLogP1.68
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.68
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

1-(4-fluorophenyl)-N-[(4-fluorophenyl)methoxy]methanimine
CID 76856167
(4-fluorophenyl)methyl (2R)-2-aminopropanoate
CID 94254370
4-[[(4-fluorophenyl)methylideneamino]oxymethyl]benzonitrile
CID 75265021
(4-fluorophenyl)methyl 2-amino-4-methylpentanoate
CID 112510164
2-[1-(dimethylamino)-3-[(4-fluorophenyl)methoxyimino]propylidene]propanedinitrile
CID 3638694
1-[(4-fluorophenyl)methoxy]butan-2-amine
CID 22448356
(2R)-1-[(4-fluorophenyl)methoxy]butan-2-amine
CID 95964424
5-[4-[(4-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine
CID 57293388
(2S)-2-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide
CID 119317321
1-(4-ethoxy-3-methoxyphenyl)-N-[(4-fluorophenyl)methoxy]methanimine
CID 76856065
1-(4-fluorophenyl)-3-methoxybutan-2-amine
CID 79616204
(4-fluorophenyl)methyl acetate
CID 14793785

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[(4-fluorophenyl)methoxyimino]propan-2-amine?
The IUPAC name of (1E)-1-[(4-fluorophenyl)methoxyimino]propan-2-amine (CID 58684892) is (1E)-1-[(4-fluorophenyl)methoxyimino]propan-2-amine.
What is the SMILES notation for (1E)-1-[(4-fluorophenyl)methoxyimino]propan-2-amine?
The canonical SMILES for (1E)-1-[(4-fluorophenyl)methoxyimino]propan-2-amine is CC(N)/C=N/OCc1ccc(F)cc1.
What is the InChIKey of (1E)-1-[(4-fluorophenyl)methoxyimino]propan-2-amine?
The InChIKey is LLLUMKKFXMOVEL-AWNIVKPZSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-8(12)6-13-14-7-9-2-4-10(11)5-3-9/h2-6,8H,7,12H2,1H3/b13-6+.
What are the key properties of (1E)-1-[(4-fluorophenyl)methoxyimino]propan-2-amine?
(1E)-1-[(4-fluorophenyl)methoxyimino]propan-2-amine has a molecular weight of 196.22 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[(4-fluorophenyl)methoxyimino]propan-2-amine is sourced from PubChem (CID 58684892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).