2-amino-2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol

C11H15F2NO3 — CID 117369704

IUPAC2-amino-2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol
SMILESCOc1cc(OC)c(C(N)CO)cc1C(F)F
InChIInChI=1S/C11H15F2NO3/c1-16-9-4-10(17-2)7(11(12)13)3-6(9)8(14)5-15/h3-4,8,11,15H,5,14H2,1-2H3
InChIKeySFBJFBFOKTUAEG-UHFFFAOYSA-N
MW247.24 g/mol
LogP1.63
Rot. Bonds5

About 2-amino-2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol

2-amino-2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol (PubChem CID 117369704) has the molecular formula C11H15F2NO3 and a molecular weight of 247.24 g/mol. Its IUPAC name is 2-amino-2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol.

Molecular Properties

Compound Name2-amino-2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol
PubChem CID117369704
Molecular FormulaC11H15F2NO3
Molecular Weight247.24 g/mol
Exact Mass247.10
IUPAC Name2-amino-2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol
SMILESCOc1cc(OC)c(C(N)CO)cc1C(F)F
InChIInChI=1S/C11H15F2NO3/c1-16-9-4-10(17-2)7(11(12)13)3-6(9)8(14)5-15/h3-4,8,11,15H,5,14H2,1-2H3
InChIKeySFBJFBFOKTUAEG-UHFFFAOYSA-N
XLogP1.63
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol
CID 42579772
2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 77129776
4-amino-4-[5-(difluoromethyl)-2,4-dimethoxyphenyl]butanoic acid
CID 117467143
2-amino-2-(2,4,5-trimethoxyphenyl)ethanol;oxalic acid
CID 17389866
(2S)-2-amino-2-(5-bromo-2,4-dimethoxyphenyl)ethanol
CID 66516031
2-amino-1-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol
CID 117369699
3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol
CID 55292444
(2R)-2-amino-2-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 66514299
(2R)-2-amino-2-(4-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171224919
2-amino-2-(4-tert-butyl-2,5-dimethoxyphenyl)ethanol
CID 117386584
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol
CID 117335907

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol?
The IUPAC name of 2-amino-2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol (CID 117369704) is 2-amino-2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol.
What is the SMILES notation for 2-amino-2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol?
The canonical SMILES for 2-amino-2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol is COc1cc(OC)c(C(N)CO)cc1C(F)F.
What is the InChIKey of 2-amino-2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol?
The InChIKey is SFBJFBFOKTUAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO3/c1-16-9-4-10(17-2)7(11(12)13)3-6(9)8(14)5-15/h3-4,8,11,15H,5,14H2,1-2H3.
What are the key properties of 2-amino-2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol?
2-amino-2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol has a molecular weight of 247.24 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol is sourced from PubChem (CID 117369704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).