5-[(4-fluorophenyl)methoxy]pentane-1,4-diamine

C12H19FN2O — CID 69283620

IUPAC5-[(4-fluorophenyl)methoxy]pentane-1,4-diamine
SMILESNCCCC(N)COCc1ccc(F)cc1
InChIInChI=1S/C12H19FN2O/c13-11-5-3-10(4-6-11)8-16-9-12(15)2-1-7-14/h3-6,12H,1-2,7-9,14-15H2
InChIKeyCOFYKOURBSTIMS-UHFFFAOYSA-N
MW226.29 g/mol
LogP1.41
Rot. Bonds7

About 5-[(4-fluorophenyl)methoxy]pentane-1,4-diamine

5-[(4-fluorophenyl)methoxy]pentane-1,4-diamine (PubChem CID 69283620) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]pentane-1,4-diamine.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]pentane-1,4-diamine
PubChem CID69283620
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name5-[(4-fluorophenyl)methoxy]pentane-1,4-diamine
SMILESNCCCC(N)COCc1ccc(F)cc1
InChIInChI=1S/C12H19FN2O/c13-11-5-3-10(4-6-11)8-16-9-12(15)2-1-7-14/h3-6,12H,1-2,7-9,14-15H2
InChIKeyCOFYKOURBSTIMS-UHFFFAOYSA-N
XLogP1.41
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy]pentane-1,4-diamine?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]pentane-1,4-diamine (CID 69283620) is 5-[(4-fluorophenyl)methoxy]pentane-1,4-diamine.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]pentane-1,4-diamine?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]pentane-1,4-diamine is NCCCC(N)COCc1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]pentane-1,4-diamine?
The InChIKey is COFYKOURBSTIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c13-11-5-3-10(4-6-11)8-16-9-12(15)2-1-7-14/h3-6,12H,1-2,7-9,14-15H2.
What are the key properties of 5-[(4-fluorophenyl)methoxy]pentane-1,4-diamine?
5-[(4-fluorophenyl)methoxy]pentane-1,4-diamine has a molecular weight of 226.29 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]pentane-1,4-diamine is sourced from PubChem (CID 69283620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).