2-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethoxy]ethanol

C11H15F2NO3 — CID 79887012

IUPAC2-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethoxy]ethanol
SMILESNCc1cc(F)c(OCCOCCO)c(F)c1
InChIInChI=1S/C11H15F2NO3/c12-9-5-8(7-14)6-10(13)11(9)17-4-3-16-2-1-15/h5-6,15H,1-4,7,14H2
InChIKeyMGKWOPMHWSBJKN-UHFFFAOYSA-N
MW247.24 g/mol
LogP0.81
Rot. Bonds7

About 2-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethoxy]ethanol

2-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethoxy]ethanol (PubChem CID 79887012) has the molecular formula C11H15F2NO3 and a molecular weight of 247.24 g/mol. Its IUPAC name is 2-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethoxy]ethanol
PubChem CID79887012
Molecular FormulaC11H15F2NO3
Molecular Weight247.24 g/mol
Exact Mass247.10
IUPAC Name2-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethoxy]ethanol
SMILESNCc1cc(F)c(OCCOCCO)c(F)c1
InChIInChI=1S/C11H15F2NO3/c12-9-5-8(7-14)6-10(13)11(9)17-4-3-16-2-1-15/h5-6,15H,1-4,7,14H2
InChIKeyMGKWOPMHWSBJKN-UHFFFAOYSA-N
XLogP0.81
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(aminomethyl)-2,6-difluorophenoxy]hexan-1-ol
CID 107702733
2-[2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]ethoxy]ethanol
CID 79891777
[3,5-difluoro-4-(4-methoxybutoxy)phenyl]methanamine
CID 104647126
2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-methylacetamide
CID 79886402
[3,5-difluoro-4-(4-methylpentoxy)phenyl]methanamine
CID 81294772
[3,5-difluoro-4-(2-methylpropoxy)phenyl]methanamine
CID 79886822
2-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]ethanamine
CID 80694644
(3,5-difluoro-4-pent-3-ynoxyphenyl)methanamine
CID 104805321
6-[2,6-difluoro-4-(hydroxymethyl)phenoxy]hexan-1-ol
CID 107704167
5-(chloromethyl)-1,3-difluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 104564276
[4-[(4-bromophenyl)methoxy]-3,5-difluorophenyl]methanamine
CID 79886388
[3,5-difluoro-4-(2-thiophen-2-ylethoxy)phenyl]methanamine
CID 79886131

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethoxy]ethanol (CID 79887012) is 2-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethoxy]ethanol is NCc1cc(F)c(OCCOCCO)c(F)c1.
What is the InChIKey of 2-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethoxy]ethanol?
The InChIKey is MGKWOPMHWSBJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO3/c12-9-5-8(7-14)6-10(13)11(9)17-4-3-16-2-1-15/h5-6,15H,1-4,7,14H2.
What are the key properties of 2-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethoxy]ethanol?
2-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethoxy]ethanol has a molecular weight of 247.24 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethoxy]ethanol is sourced from PubChem (CID 79887012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).