2-[[2-(difluoromethoxy)phenyl]methyl-(2-hydroxyethyl)amino]ethanol

C12H17F2NO3 — CID 62022488

IUPAC2-[[2-(difluoromethoxy)phenyl]methyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)Cc1ccccc1OC(F)F
InChIInChI=1S/C12H17F2NO3/c13-12(14)18-11-4-2-1-3-10(11)9-15(5-7-16)6-8-17/h1-4,12,16-17H,5-9H2
InChIKeyUYYYTCSRJDZYHN-UHFFFAOYSA-N
MW261.27 g/mol
LogP1.07
Rot. Bonds8

About 2-[[2-(difluoromethoxy)phenyl]methyl-(2-hydroxyethyl)amino]ethanol

2-[[2-(difluoromethoxy)phenyl]methyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 62022488) has the molecular formula C12H17F2NO3 and a molecular weight of 261.27 g/mol. Its IUPAC name is 2-[[2-(difluoromethoxy)phenyl]methyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-(difluoromethoxy)phenyl]methyl-(2-hydroxyethyl)amino]ethanol
PubChem CID62022488
Molecular FormulaC12H17F2NO3
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Name2-[[2-(difluoromethoxy)phenyl]methyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)Cc1ccccc1OC(F)F
InChIInChI=1S/C12H17F2NO3/c13-12(14)18-11-4-2-1-3-10(11)9-15(5-7-16)6-8-17/h1-4,12,16-17H,5-9H2
InChIKeyUYYYTCSRJDZYHN-UHFFFAOYSA-N
XLogP1.07
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(difluoromethoxy)phenyl]methyl-propan-2-ylamino]ethanol
CID 62022111
3-[[2-(difluoromethoxy)phenyl]methyl-ethylamino]propan-1-ol
CID 115666360
2-[carboxymethyl-[[2-(difluoromethoxy)phenyl]methyl]amino]acetic acid
CID 63644790
2-[cyclopentyl-[[2-(difluoromethoxy)phenyl]methyl]amino]ethanol
CID 62016633
2-[cyclohexyl-[[2-(difluoromethoxy)phenyl]methyl]amino]ethanol
CID 62014264
N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120872284
3-[[2-(difluoromethoxy)phenyl]methyl-ethylamino]propanoic acid
CID 61011180
2-[(2-amino-2-oxoethyl)-[[2-(difluoromethoxy)phenyl]methyl]amino]acetic acid
CID 107440320
2-[(2-methoxyphenyl)methyl-(2-phenylethyl)amino]ethanol
CID 110932203
N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylethane-1,2-diamine
CID 62681478
2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl-prop-2-enylamino]ethanol
CID 115631731
2-[2-[[2-(difluoromethoxy)phenyl]methoxy]phenoxy]ethanol
CID 78878305

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethoxy)phenyl]methyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[2-(difluoromethoxy)phenyl]methyl-(2-hydroxyethyl)amino]ethanol (CID 62022488) is 2-[[2-(difluoromethoxy)phenyl]methyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-(difluoromethoxy)phenyl]methyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[2-(difluoromethoxy)phenyl]methyl-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)Cc1ccccc1OC(F)F.
What is the InChIKey of 2-[[2-(difluoromethoxy)phenyl]methyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is UYYYTCSRJDZYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO3/c13-12(14)18-11-4-2-1-3-10(11)9-15(5-7-16)6-8-17/h1-4,12,16-17H,5-9H2.
What are the key properties of 2-[[2-(difluoromethoxy)phenyl]methyl-(2-hydroxyethyl)amino]ethanol?
2-[[2-(difluoromethoxy)phenyl]methyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 261.27 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethoxy)phenyl]methyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 62022488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).