1-[3-(difluoromethyl)-2-methoxy-6-methylphenyl]-2-(methylamino)ethanol

C12H17F2NO2 — CID 117364611

IUPAC1-[3-(difluoromethyl)-2-methoxy-6-methylphenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1c(C)ccc(C(F)F)c1OC
InChIInChI=1S/C12H17F2NO2/c1-7-4-5-8(12(13)14)11(17-3)10(7)9(16)6-15-2/h4-5,9,12,15-16H,6H2,1-3H3
InChIKeyAWRMVIFBYQDCSP-UHFFFAOYSA-N
MW245.27 g/mol
LogP2.19
Rot. Bonds5

About 1-[3-(difluoromethyl)-2-methoxy-6-methylphenyl]-2-(methylamino)ethanol

1-[3-(difluoromethyl)-2-methoxy-6-methylphenyl]-2-(methylamino)ethanol (PubChem CID 117364611) has the molecular formula C12H17F2NO2 and a molecular weight of 245.27 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-2-methoxy-6-methylphenyl]-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-2-methoxy-6-methylphenyl]-2-(methylamino)ethanol
PubChem CID117364611
Molecular FormulaC12H17F2NO2
Molecular Weight245.27 g/mol
Exact Mass245.12
IUPAC Name1-[3-(difluoromethyl)-2-methoxy-6-methylphenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1c(C)ccc(C(F)F)c1OC
InChIInChI=1S/C12H17F2NO2/c1-7-4-5-8(12(13)14)11(17-3)10(7)9(16)6-15-2/h4-5,9,12,15-16H,6H2,1-3H3
InChIKeyAWRMVIFBYQDCSP-UHFFFAOYSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]-2-(methylamino)ethanol
CID 117375331
1-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-(methylamino)ethanol
CID 117406783
3-amino-3-[3-(difluoromethyl)-2-methoxy-6-methylphenyl]propanoic acid
CID 117401245
1-(3,4-dimethoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 117323942
1-(4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanol
CID 82315849
1-[3-(difluoromethyl)-4-methoxyphenyl]-2-(methylamino)ethanol
CID 117333852
2-fluoro-4-[1-hydroxy-2-(methylamino)ethyl]-3-methoxy-6-methylphenol
CID 84792671
3-(difluoromethyl)-2-methoxy-6-methylbenzoic acid
CID 84681562
6-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-3-methylphenol
CID 84806395
1-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]-2-(methylamino)ethanol
CID 117359829
1-(2-bromo-6-fluoro-3-methylphenyl)-2-(methylamino)ethanol
CID 84710705
1-[5-chloro-2-(difluoromethyl)phenyl]-2-(methylamino)ethanol
CID 84699078

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-2-methoxy-6-methylphenyl]-2-(methylamino)ethanol?
The IUPAC name of 1-[3-(difluoromethyl)-2-methoxy-6-methylphenyl]-2-(methylamino)ethanol (CID 117364611) is 1-[3-(difluoromethyl)-2-methoxy-6-methylphenyl]-2-(methylamino)ethanol.
What is the SMILES notation for 1-[3-(difluoromethyl)-2-methoxy-6-methylphenyl]-2-(methylamino)ethanol?
The canonical SMILES for 1-[3-(difluoromethyl)-2-methoxy-6-methylphenyl]-2-(methylamino)ethanol is CNCC(O)c1c(C)ccc(C(F)F)c1OC.
What is the InChIKey of 1-[3-(difluoromethyl)-2-methoxy-6-methylphenyl]-2-(methylamino)ethanol?
The InChIKey is AWRMVIFBYQDCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2/c1-7-4-5-8(12(13)14)11(17-3)10(7)9(16)6-15-2/h4-5,9,12,15-16H,6H2,1-3H3.
What are the key properties of 1-[3-(difluoromethyl)-2-methoxy-6-methylphenyl]-2-(methylamino)ethanol?
1-[3-(difluoromethyl)-2-methoxy-6-methylphenyl]-2-(methylamino)ethanol has a molecular weight of 245.27 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)-2-methoxy-6-methylphenyl]-2-(methylamino)ethanol is sourced from PubChem (CID 117364611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).