4-[bis(4-fluorophenyl)methoxy]butan-1-amine

C17H19F2NO — CID 71092027

IUPAC4-[bis(4-fluorophenyl)methoxy]butan-1-amine
SMILESNCCCCOC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H19F2NO/c18-15-7-3-13(4-8-15)17(21-12-2-1-11-20)14-5-9-16(19)10-6-14/h3-10,17H,1-2,11-12,20H2
InChIKeyXYPXWUKRPTUUSD-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.81
Rot. Bonds7

About 4-[bis(4-fluorophenyl)methoxy]butan-1-amine

4-[bis(4-fluorophenyl)methoxy]butan-1-amine (PubChem CID 71092027) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 4-[bis(4-fluorophenyl)methoxy]butan-1-amine.

Molecular Properties

Compound Name4-[bis(4-fluorophenyl)methoxy]butan-1-amine
PubChem CID71092027
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name4-[bis(4-fluorophenyl)methoxy]butan-1-amine
SMILESNCCCCOC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H19F2NO/c18-15-7-3-13(4-8-15)17(21-12-2-1-11-20)14-5-9-16(19)10-6-14/h3-10,17H,1-2,11-12,20H2
InChIKeyXYPXWUKRPTUUSD-UHFFFAOYSA-N
XLogP3.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(4-fluorophenyl)methoxy]butan-1-amine?
The IUPAC name of 4-[bis(4-fluorophenyl)methoxy]butan-1-amine (CID 71092027) is 4-[bis(4-fluorophenyl)methoxy]butan-1-amine.
What is the SMILES notation for 4-[bis(4-fluorophenyl)methoxy]butan-1-amine?
The canonical SMILES for 4-[bis(4-fluorophenyl)methoxy]butan-1-amine is NCCCCOC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-[bis(4-fluorophenyl)methoxy]butan-1-amine?
The InChIKey is XYPXWUKRPTUUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c18-15-7-3-13(4-8-15)17(21-12-2-1-11-20)14-5-9-16(19)10-6-14/h3-10,17H,1-2,11-12,20H2.
What are the key properties of 4-[bis(4-fluorophenyl)methoxy]butan-1-amine?
4-[bis(4-fluorophenyl)methoxy]butan-1-amine has a molecular weight of 291.34 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(4-fluorophenyl)methoxy]butan-1-amine is sourced from PubChem (CID 71092027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).