5-[2-(3,5-difluorophenyl)ethylamino]pentan-1-ol

C13H19F2NO — CID 62603706

IUPAC5-[2-(3,5-difluorophenyl)ethylamino]pentan-1-ol
SMILESOCCCCCNCCc1cc(F)cc(F)c1
InChIInChI=1S/C13H19F2NO/c14-12-8-11(9-13(15)10-12)4-6-16-5-2-1-3-7-17/h8-10,16-17H,1-7H2
InChIKeyGDCNSCCJJKUWFE-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.26
Rot. Bonds8

About 5-[2-(3,5-difluorophenyl)ethylamino]pentan-1-ol

5-[2-(3,5-difluorophenyl)ethylamino]pentan-1-ol (PubChem CID 62603706) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 5-[2-(3,5-difluorophenyl)ethylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[2-(3,5-difluorophenyl)ethylamino]pentan-1-ol
PubChem CID62603706
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name5-[2-(3,5-difluorophenyl)ethylamino]pentan-1-ol
SMILESOCCCCCNCCc1cc(F)cc(F)c1
InChIInChI=1S/C13H19F2NO/c14-12-8-11(9-13(15)10-12)4-6-16-5-2-1-3-7-17/h8-10,16-17H,1-7H2
InChIKeyGDCNSCCJJKUWFE-UHFFFAOYSA-N
XLogP2.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.26
H-Bond Donors ≤ 52
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-[2-(3,5-difluorophenyl)ethylamino]pentan-1-ol?
The IUPAC name of 5-[2-(3,5-difluorophenyl)ethylamino]pentan-1-ol (CID 62603706) is 5-[2-(3,5-difluorophenyl)ethylamino]pentan-1-ol.
What is the SMILES notation for 5-[2-(3,5-difluorophenyl)ethylamino]pentan-1-ol?
The canonical SMILES for 5-[2-(3,5-difluorophenyl)ethylamino]pentan-1-ol is OCCCCCNCCc1cc(F)cc(F)c1.
What is the InChIKey of 5-[2-(3,5-difluorophenyl)ethylamino]pentan-1-ol?
The InChIKey is GDCNSCCJJKUWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c14-12-8-11(9-13(15)10-12)4-6-16-5-2-1-3-7-17/h8-10,16-17H,1-7H2.
What are the key properties of 5-[2-(3,5-difluorophenyl)ethylamino]pentan-1-ol?
5-[2-(3,5-difluorophenyl)ethylamino]pentan-1-ol has a molecular weight of 243.30 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,5-difluorophenyl)ethylamino]pentan-1-ol is sourced from PubChem (CID 62603706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).