2-amino-2-(3,5-difluoro-2,4-dimethylphenyl)ethanol

C10H13F2NO — CID 84776170

IUPAC2-amino-2-(3,5-difluoro-2,4-dimethylphenyl)ethanol
SMILESCc1c(F)cc(C(N)CO)c(C)c1F
InChIInChI=1S/C10H13F2NO/c1-5-7(9(13)4-14)3-8(11)6(2)10(5)12/h3,9,14H,4,13H2,1-2H3
InChIKeyARGWNCNMENYZGE-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.57
Rot. Bonds2

About 2-amino-2-(3,5-difluoro-2,4-dimethylphenyl)ethanol

2-amino-2-(3,5-difluoro-2,4-dimethylphenyl)ethanol (PubChem CID 84776170) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-amino-2-(3,5-difluoro-2,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3,5-difluoro-2,4-dimethylphenyl)ethanol
PubChem CID84776170
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-amino-2-(3,5-difluoro-2,4-dimethylphenyl)ethanol
SMILESCc1c(F)cc(C(N)CO)c(C)c1F
InChIInChI=1S/C10H13F2NO/c1-5-7(9(13)4-14)3-8(11)6(2)10(5)12/h3,9,14H,4,13H2,1-2H3
InChIKeyARGWNCNMENYZGE-UHFFFAOYSA-N
XLogP1.57
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(2-fluoro-4,5-dimethylphenyl)ethanol
CID 84769051
4-(1-amino-2-hydroxyethyl)-2-fluoro-5-methylphenol
CID 84769631
2-amino-2-(4,5-dimethyl-2-methylsulfanylphenyl)ethanol
CID 117302199
2-amino-2-(3-chloro-2,4,5-trifluorophenyl)ethanol
CID 117115476
(2S)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171201973
(2R)-2-amino-2-(4-amino-2-fluoro-5-methylphenyl)ethanol
CID 66513540
(2R)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171221518
2-amino-2-(2,3,5-trimethylphenyl)ethanol
CID 117278132
(2R)-2-amino-2-[4,5-difluoro-2-(trifluoromethyl)phenyl]ethanol
CID 66515548
(2S)-2-amino-2-[4,5-difluoro-2-(trifluoromethyl)phenyl]ethanol
CID 66515547
3-amino-3-(3-fluoro-2,5-dimethylphenyl)propan-1-ol
CID 84774435
2-amino-2-(3-chloro-5-fluoro-2,6-dimethylphenyl)ethanol
CID 84785836

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,5-difluoro-2,4-dimethylphenyl)ethanol?
The IUPAC name of 2-amino-2-(3,5-difluoro-2,4-dimethylphenyl)ethanol (CID 84776170) is 2-amino-2-(3,5-difluoro-2,4-dimethylphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(3,5-difluoro-2,4-dimethylphenyl)ethanol?
The canonical SMILES for 2-amino-2-(3,5-difluoro-2,4-dimethylphenyl)ethanol is Cc1c(F)cc(C(N)CO)c(C)c1F.
What is the InChIKey of 2-amino-2-(3,5-difluoro-2,4-dimethylphenyl)ethanol?
The InChIKey is ARGWNCNMENYZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-5-7(9(13)4-14)3-8(11)6(2)10(5)12/h3,9,14H,4,13H2,1-2H3.
What are the key properties of 2-amino-2-(3,5-difluoro-2,4-dimethylphenyl)ethanol?
2-amino-2-(3,5-difluoro-2,4-dimethylphenyl)ethanol has a molecular weight of 201.22 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3,5-difluoro-2,4-dimethylphenyl)ethanol is sourced from PubChem (CID 84776170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).