2-[[2-(difluoromethoxy)phenyl]methyl-propan-2-ylamino]ethanol

C13H19F2NO2 — CID 62022111

IUPAC2-[[2-(difluoromethoxy)phenyl]methyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)Cc1ccccc1OC(F)F
InChIInChI=1S/C13H19F2NO2/c1-10(2)16(7-8-17)9-11-5-3-4-6-12(11)18-13(14)15/h3-6,10,13,17H,7-9H2,1-2H3
InChIKeyKGDDMKRCBAXPFU-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.49
Rot. Bonds7

About 2-[[2-(difluoromethoxy)phenyl]methyl-propan-2-ylamino]ethanol

2-[[2-(difluoromethoxy)phenyl]methyl-propan-2-ylamino]ethanol (PubChem CID 62022111) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-[[2-(difluoromethoxy)phenyl]methyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(difluoromethoxy)phenyl]methyl-propan-2-ylamino]ethanol
PubChem CID62022111
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name2-[[2-(difluoromethoxy)phenyl]methyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)Cc1ccccc1OC(F)F
InChIInChI=1S/C13H19F2NO2/c1-10(2)16(7-8-17)9-11-5-3-4-6-12(11)18-13(14)15/h3-6,10,13,17H,7-9H2,1-2H3
InChIKeyKGDDMKRCBAXPFU-UHFFFAOYSA-N
XLogP2.49
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(difluoromethoxy)phenyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 62022488
2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]ethanol
CID 113453837
3-[[2-(difluoromethoxy)phenyl]methyl-ethylamino]propan-1-ol
CID 115666360
2-[cyclopentyl-[[2-(difluoromethoxy)phenyl]methyl]amino]ethanol
CID 62016633
N-[[2-(difluoromethoxy)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603048
2-[cyclohexyl-[[2-(difluoromethoxy)phenyl]methyl]amino]ethanol
CID 62014264
N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylethane-1,2-diamine
CID 62681478
2-[(2,5-difluorophenyl)methyl-propan-2-ylamino]ethanol
CID 62021731
2-[(5-fluoro-2-methylphenyl)methyl-propan-2-ylamino]ethanol
CID 115970192
2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-6-methylphenol
CID 115903809
2-[carboxymethyl-[[2-(difluoromethoxy)phenyl]methyl]amino]acetic acid
CID 63644790
2-[(2-ethoxyphenyl)methyl-pentan-3-ylamino]ethanol
CID 62014901

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethoxy)phenyl]methyl-propan-2-ylamino]ethanol?
The IUPAC name of 2-[[2-(difluoromethoxy)phenyl]methyl-propan-2-ylamino]ethanol (CID 62022111) is 2-[[2-(difluoromethoxy)phenyl]methyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[[2-(difluoromethoxy)phenyl]methyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[[2-(difluoromethoxy)phenyl]methyl-propan-2-ylamino]ethanol is CC(C)N(CCO)Cc1ccccc1OC(F)F.
What is the InChIKey of 2-[[2-(difluoromethoxy)phenyl]methyl-propan-2-ylamino]ethanol?
The InChIKey is KGDDMKRCBAXPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-10(2)16(7-8-17)9-11-5-3-4-6-12(11)18-13(14)15/h3-6,10,13,17H,7-9H2,1-2H3.
What are the key properties of 2-[[2-(difluoromethoxy)phenyl]methyl-propan-2-ylamino]ethanol?
2-[[2-(difluoromethoxy)phenyl]methyl-propan-2-ylamino]ethanol has a molecular weight of 259.30 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethoxy)phenyl]methyl-propan-2-ylamino]ethanol is sourced from PubChem (CID 62022111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).