5-[bis(4-fluorophenyl)methoxy]pentan-1-amine

C18H21F2NO — CID 70682934

IUPAC5-[bis(4-fluorophenyl)methoxy]pentan-1-amine
SMILESNCCCCCOC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H21F2NO/c19-16-8-4-14(5-9-16)18(22-13-3-1-2-12-21)15-6-10-17(20)11-7-15/h4-11,18H,1-3,12-13,21H2
InChIKeyLPKDSQUOULJQBO-UHFFFAOYSA-N
MW305.37 g/mol
LogP4.20
Rot. Bonds8

About 5-[bis(4-fluorophenyl)methoxy]pentan-1-amine

5-[bis(4-fluorophenyl)methoxy]pentan-1-amine (PubChem CID 70682934) has the molecular formula C18H21F2NO and a molecular weight of 305.37 g/mol. Its IUPAC name is 5-[bis(4-fluorophenyl)methoxy]pentan-1-amine.

Molecular Properties

Compound Name5-[bis(4-fluorophenyl)methoxy]pentan-1-amine
PubChem CID70682934
Molecular FormulaC18H21F2NO
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name5-[bis(4-fluorophenyl)methoxy]pentan-1-amine
SMILESNCCCCCOC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H21F2NO/c19-16-8-4-14(5-9-16)18(22-13-3-1-2-12-21)15-6-10-17(20)11-7-15/h4-11,18H,1-3,12-13,21H2
InChIKeyLPKDSQUOULJQBO-UHFFFAOYSA-N
XLogP4.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 54.20
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 5-[bis(4-fluorophenyl)methoxy]pentan-1-amine?
The IUPAC name of 5-[bis(4-fluorophenyl)methoxy]pentan-1-amine (CID 70682934) is 5-[bis(4-fluorophenyl)methoxy]pentan-1-amine.
What is the SMILES notation for 5-[bis(4-fluorophenyl)methoxy]pentan-1-amine?
The canonical SMILES for 5-[bis(4-fluorophenyl)methoxy]pentan-1-amine is NCCCCCOC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 5-[bis(4-fluorophenyl)methoxy]pentan-1-amine?
The InChIKey is LPKDSQUOULJQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2NO/c19-16-8-4-14(5-9-16)18(22-13-3-1-2-12-21)15-6-10-17(20)11-7-15/h4-11,18H,1-3,12-13,21H2.
What are the key properties of 5-[bis(4-fluorophenyl)methoxy]pentan-1-amine?
5-[bis(4-fluorophenyl)methoxy]pentan-1-amine has a molecular weight of 305.37 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(4-fluorophenyl)methoxy]pentan-1-amine is sourced from PubChem (CID 70682934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).