2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methylamino)ethanol

C11H15F2NO3 — CID 61055320

IUPAC2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methylamino)ethanol
SMILESCNC(CO)c1ccc(OC)c(OC(F)F)c1
InChIInChI=1S/C11H15F2NO3/c1-14-8(6-15)7-3-4-9(16-2)10(5-7)17-11(12)13/h3-5,8,11,14-15H,6H2,1-2H3
InChIKeyWRCKRDICHQKCMS-UHFFFAOYSA-N
MW247.24 g/mol
LogP1.55
Rot. Bonds6

About 2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methylamino)ethanol

2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methylamino)ethanol (PubChem CID 61055320) has the molecular formula C11H15F2NO3 and a molecular weight of 247.24 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methylamino)ethanol.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methylamino)ethanol
PubChem CID61055320
Molecular FormulaC11H15F2NO3
Molecular Weight247.24 g/mol
Exact Mass247.10
IUPAC Name2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methylamino)ethanol
SMILESCNC(CO)c1ccc(OC)c(OC(F)F)c1
InChIInChI=1S/C11H15F2NO3/c1-14-8(6-15)7-3-4-9(16-2)10(5-7)17-11(12)13/h3-5,8,11,14-15H,6H2,1-2H3
InChIKeyWRCKRDICHQKCMS-UHFFFAOYSA-N
XLogP1.55
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethanol
CID 66514880
2-(4-methoxy-3-methylphenyl)-2-(methylamino)ethanol
CID 62132456
ethyl 2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methylamino)acetate
CID 60788246
1-[3-(difluoromethoxy)-4-methoxyphenyl]-2,2-difluoroethanol
CID 80605336
2-(3,4-dimethoxyphenyl)-2-(ethylamino)ethanol
CID 61048531
1-(3,4-dimethoxyphenyl)-N-methylbutan-1-amine
CID 43481153
1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-propan-2-yloxyethanol
CID 79567663
1-[3-(difluoromethoxy)-4-methoxyphenyl]-4,4,4-trifluorobutan-1-ol
CID 64564930
(2R)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]butan-1-ol
CID 28723108
2-(6-methoxynaphthalen-2-yl)-2-(methylamino)ethanol
CID 61055119
2-methoxy-5-[1-(methylamino)propyl]phenol
CID 83830986
(2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethanol
CID 93471271

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methylamino)ethanol?
The IUPAC name of 2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methylamino)ethanol (CID 61055320) is 2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methylamino)ethanol.
What is the SMILES notation for 2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methylamino)ethanol?
The canonical SMILES for 2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methylamino)ethanol is CNC(CO)c1ccc(OC)c(OC(F)F)c1.
What is the InChIKey of 2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methylamino)ethanol?
The InChIKey is WRCKRDICHQKCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO3/c1-14-8(6-15)7-3-4-9(16-2)10(5-7)17-11(12)13/h3-5,8,11,14-15H,6H2,1-2H3.
What are the key properties of 2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methylamino)ethanol?
2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methylamino)ethanol has a molecular weight of 247.24 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methylamino)ethanol is sourced from PubChem (CID 61055320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).