2-[(2,2-difluoroethylamino)methyl]-6-ethoxyphenol

C11H15F2NO2 — CID 115405717

IUPAC2-[(2,2-difluoroethylamino)methyl]-6-ethoxyphenol
SMILESCCOc1cccc(CNCC(F)F)c1O
InChIInChI=1S/C11H15F2NO2/c1-2-16-9-5-3-4-8(11(9)15)6-14-7-10(12)13/h3-5,10,14-15H,2,6-7H2,1H3
InChIKeyDQDCFULETWPUFY-UHFFFAOYSA-N
MW231.24 g/mol
LogP2.15
Rot. Bonds6

About 2-[(2,2-difluoroethylamino)methyl]-6-ethoxyphenol

2-[(2,2-difluoroethylamino)methyl]-6-ethoxyphenol (PubChem CID 115405717) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is 2-[(2,2-difluoroethylamino)methyl]-6-ethoxyphenol.

Molecular Properties

Compound Name2-[(2,2-difluoroethylamino)methyl]-6-ethoxyphenol
PubChem CID115405717
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name2-[(2,2-difluoroethylamino)methyl]-6-ethoxyphenol
SMILESCCOc1cccc(CNCC(F)F)c1O
InChIInChI=1S/C11H15F2NO2/c1-2-16-9-5-3-4-8(11(9)15)6-14-7-10(12)13/h3-5,10,14-15H,2,6-7H2,1H3
InChIKeyDQDCFULETWPUFY-UHFFFAOYSA-N
XLogP2.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-6-[(2-methylbutylamino)methyl]phenol
CID 62693047
2-[[2-(dimethylamino)propylamino]methyl]-6-ethoxyphenol
CID 54913244
3-[(3-ethoxy-2-hydroxyphenyl)methylamino]propane-1,2-diol
CID 66174868
2-ethoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 78916438
2-[[(2-bromo-5-fluorophenyl)methylamino]methyl]-6-ethoxyphenol
CID 61016649
2-[(3,3-dimethylbutylamino)methyl]-6-ethoxyphenol
CID 115603081
2-ethoxy-6-[(2-methylsulfanylethylamino)methyl]phenol
CID 62732395
2-ethoxy-6-[(3-methylsulfanylbutylamino)methyl]phenol
CID 115604282
2-ethoxy-6-[[(2-ethoxy-2-methylpropyl)amino]methyl]phenol
CID 114941057
2-ethoxy-6-[(pyridin-4-ylmethylamino)methyl]phenol
CID 28669757
tert-butyl N-[1-[(3-ethoxy-2-hydroxyphenyl)methylamino]propan-2-yl]carbamate
CID 107247986
2-[[1-(dimethylamino)propan-2-ylamino]methyl]-6-ethoxyphenol
CID 82938957

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoroethylamino)methyl]-6-ethoxyphenol?
The IUPAC name of 2-[(2,2-difluoroethylamino)methyl]-6-ethoxyphenol (CID 115405717) is 2-[(2,2-difluoroethylamino)methyl]-6-ethoxyphenol.
What is the SMILES notation for 2-[(2,2-difluoroethylamino)methyl]-6-ethoxyphenol?
The canonical SMILES for 2-[(2,2-difluoroethylamino)methyl]-6-ethoxyphenol is CCOc1cccc(CNCC(F)F)c1O.
What is the InChIKey of 2-[(2,2-difluoroethylamino)methyl]-6-ethoxyphenol?
The InChIKey is DQDCFULETWPUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-2-16-9-5-3-4-8(11(9)15)6-14-7-10(12)13/h3-5,10,14-15H,2,6-7H2,1H3.
What are the key properties of 2-[(2,2-difluoroethylamino)methyl]-6-ethoxyphenol?
2-[(2,2-difluoroethylamino)methyl]-6-ethoxyphenol has a molecular weight of 231.24 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoroethylamino)methyl]-6-ethoxyphenol is sourced from PubChem (CID 115405717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).