(E)-N-[4-(4-fluorophenyl)butoxy]-3,3-dimethylbutan-2-imine

C16H24FNO — CID 59409528

IUPAC(E)-N-[4-(4-fluorophenyl)butoxy]-3,3-dimethylbutan-2-imine
SMILESC/C(=N\OCCCCc1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C16H24FNO/c1-13(16(2,3)4)18-19-12-6-5-7-14-8-10-15(17)11-9-14/h8-11H,5-7,12H2,1-4H3/b18-13+
InChIKeyQSDBBEMXOCRAQJ-QGOAFFKASA-N
MW265.37 g/mol
LogP4.59
Rot. Bonds6

About (E)-N-[4-(4-fluorophenyl)butoxy]-3,3-dimethylbutan-2-imine

(E)-N-[4-(4-fluorophenyl)butoxy]-3,3-dimethylbutan-2-imine (PubChem CID 59409528) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is (E)-N-[4-(4-fluorophenyl)butoxy]-3,3-dimethylbutan-2-imine.

Molecular Properties

Compound Name(E)-N-[4-(4-fluorophenyl)butoxy]-3,3-dimethylbutan-2-imine
PubChem CID59409528
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name(E)-N-[4-(4-fluorophenyl)butoxy]-3,3-dimethylbutan-2-imine
SMILESC/C(=N\OCCCCc1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C16H24FNO/c1-13(16(2,3)4)18-19-12-6-5-7-14-8-10-15(17)11-9-14/h8-11H,5-7,12H2,1-4H3/b18-13+
InChIKeyQSDBBEMXOCRAQJ-QGOAFFKASA-N
XLogP4.59
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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CID 57030730

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(4-fluorophenyl)butoxy]-3,3-dimethylbutan-2-imine?
The IUPAC name of (E)-N-[4-(4-fluorophenyl)butoxy]-3,3-dimethylbutan-2-imine (CID 59409528) is (E)-N-[4-(4-fluorophenyl)butoxy]-3,3-dimethylbutan-2-imine.
What is the SMILES notation for (E)-N-[4-(4-fluorophenyl)butoxy]-3,3-dimethylbutan-2-imine?
The canonical SMILES for (E)-N-[4-(4-fluorophenyl)butoxy]-3,3-dimethylbutan-2-imine is C/C(=N\OCCCCc1ccc(F)cc1)C(C)(C)C.
What is the InChIKey of (E)-N-[4-(4-fluorophenyl)butoxy]-3,3-dimethylbutan-2-imine?
The InChIKey is QSDBBEMXOCRAQJ-QGOAFFKASA-N. The full InChI is InChI=1S/C16H24FNO/c1-13(16(2,3)4)18-19-12-6-5-7-14-8-10-15(17)11-9-14/h8-11H,5-7,12H2,1-4H3/b18-13+.
What are the key properties of (E)-N-[4-(4-fluorophenyl)butoxy]-3,3-dimethylbutan-2-imine?
(E)-N-[4-(4-fluorophenyl)butoxy]-3,3-dimethylbutan-2-imine has a molecular weight of 265.37 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(4-fluorophenyl)butoxy]-3,3-dimethylbutan-2-imine is sourced from PubChem (CID 59409528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).