2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethanol

C11H15F2NO2 — CID 110901993

IUPAC2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethanol
SMILESCN(CCO)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C11H15F2NO2/c1-14(6-7-15)8-9-2-4-10(5-3-9)16-11(12)13/h2-5,11,15H,6-8H2,1H3
InChIKeyVKUVJXYUHRNYJX-UHFFFAOYSA-N
MW231.24 g/mol
LogP1.71
Rot. Bonds6

About 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethanol

2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethanol (PubChem CID 110901993) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethanol
PubChem CID110901993
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethanol
SMILESCN(CCO)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C11H15F2NO2/c1-14(6-7-15)8-9-2-4-10(5-3-9)16-11(12)13/h2-5,11,15H,6-8H2,1H3
InChIKeyVKUVJXYUHRNYJX-UHFFFAOYSA-N
XLogP1.71
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(ethylcarbamoyl)acetamide
CID 9023545
2-[4-(difluoromethoxy)phenyl]-N,N-bis(2-hydroxyethyl)acetamide
CID 60682190
2-[[4-(difluoromethoxy)phenyl]methyl-prop-2-enylamino]ethanol
CID 111423289
2-[4-(difluoromethoxy)phenyl]ethanol;ethane
CID 142357995
[3-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976506
2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43572897
2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 60682400
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylprop-2-enamide
CID 43616660
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 43470699
2-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]ethanol
CID 110921350
2-[carboxymethyl-[[4-(difluoromethoxy)phenyl]methyl]amino]acetic acid
CID 65065686
3-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethyl]imidazolidine-2,4-dione
CID 51076814

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethanol?
The IUPAC name of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethanol (CID 110901993) is 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethanol.
What is the SMILES notation for 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethanol?
The canonical SMILES for 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethanol is CN(CCO)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethanol?
The InChIKey is VKUVJXYUHRNYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-14(6-7-15)8-9-2-4-10(5-3-9)16-11(12)13/h2-5,11,15H,6-8H2,1H3.
What are the key properties of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethanol?
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethanol has a molecular weight of 231.24 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethanol is sourced from PubChem (CID 110901993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).