5-[[2-amino-1-(2,6-difluorophenyl)ethyl]amino]pentan-1-ol

C13H20F2N2O — CID 107317087

IUPAC5-[[2-amino-1-(2,6-difluorophenyl)ethyl]amino]pentan-1-ol
SMILESNCC(NCCCCCO)c1c(F)cccc1F
InChIInChI=1S/C13H20F2N2O/c14-10-5-4-6-11(15)13(10)12(9-16)17-7-2-1-3-8-18/h4-6,12,17-18H,1-3,7-9,16H2
InChIKeyNXMBKCXICOUXKV-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.72
Rot. Bonds8

About 5-[[2-amino-1-(2,6-difluorophenyl)ethyl]amino]pentan-1-ol

5-[[2-amino-1-(2,6-difluorophenyl)ethyl]amino]pentan-1-ol (PubChem CID 107317087) has the molecular formula C13H20F2N2O and a molecular weight of 258.31 g/mol. Its IUPAC name is 5-[[2-amino-1-(2,6-difluorophenyl)ethyl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[2-amino-1-(2,6-difluorophenyl)ethyl]amino]pentan-1-ol
PubChem CID107317087
Molecular FormulaC13H20F2N2O
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name5-[[2-amino-1-(2,6-difluorophenyl)ethyl]amino]pentan-1-ol
SMILESNCC(NCCCCCO)c1c(F)cccc1F
InChIInChI=1S/C13H20F2N2O/c14-10-5-4-6-11(15)13(10)12(9-16)17-7-2-1-3-8-18/h4-6,12,17-18H,1-3,7-9,16H2
InChIKeyNXMBKCXICOUXKV-UHFFFAOYSA-N
XLogP1.72
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-amino-1-(2,6-difluorophenyl)ethyl]amino]pentan-1-ol?
The IUPAC name of 5-[[2-amino-1-(2,6-difluorophenyl)ethyl]amino]pentan-1-ol (CID 107317087) is 5-[[2-amino-1-(2,6-difluorophenyl)ethyl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[2-amino-1-(2,6-difluorophenyl)ethyl]amino]pentan-1-ol?
The canonical SMILES for 5-[[2-amino-1-(2,6-difluorophenyl)ethyl]amino]pentan-1-ol is NCC(NCCCCCO)c1c(F)cccc1F.
What is the InChIKey of 5-[[2-amino-1-(2,6-difluorophenyl)ethyl]amino]pentan-1-ol?
The InChIKey is NXMBKCXICOUXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O/c14-10-5-4-6-11(15)13(10)12(9-16)17-7-2-1-3-8-18/h4-6,12,17-18H,1-3,7-9,16H2.
What are the key properties of 5-[[2-amino-1-(2,6-difluorophenyl)ethyl]amino]pentan-1-ol?
5-[[2-amino-1-(2,6-difluorophenyl)ethyl]amino]pentan-1-ol has a molecular weight of 258.31 g/mol, XLogP of 1.72, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-amino-1-(2,6-difluorophenyl)ethyl]amino]pentan-1-ol is sourced from PubChem (CID 107317087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).