2-amino-2-(3-chloro-5-fluoro-2,6-dimethylphenyl)ethanol

C10H13ClFNO — CID 84785836

IUPAC2-amino-2-(3-chloro-5-fluoro-2,6-dimethylphenyl)ethanol
SMILESCc1c(F)cc(Cl)c(C)c1C(N)CO
InChIInChI=1S/C10H13ClFNO/c1-5-7(11)3-8(12)6(2)10(5)9(13)4-14/h3,9,14H,4,13H2,1-2H3
InChIKeyWFRNPVAWWCJENH-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.09
Rot. Bonds2

About 2-amino-2-(3-chloro-5-fluoro-2,6-dimethylphenyl)ethanol

2-amino-2-(3-chloro-5-fluoro-2,6-dimethylphenyl)ethanol (PubChem CID 84785836) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 2-amino-2-(3-chloro-5-fluoro-2,6-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3-chloro-5-fluoro-2,6-dimethylphenyl)ethanol
PubChem CID84785836
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name2-amino-2-(3-chloro-5-fluoro-2,6-dimethylphenyl)ethanol
SMILESCc1c(F)cc(Cl)c(C)c1C(N)CO
InChIInChI=1S/C10H13ClFNO/c1-5-7(11)3-8(12)6(2)10(5)9(13)4-14/h3,9,14H,4,13H2,1-2H3
InChIKeyWFRNPVAWWCJENH-UHFFFAOYSA-N
XLogP2.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(3-chloro-2,5,6-trifluorophenyl)ethanol
CID 117324265
2-(1-amino-2-hydroxyethyl)-6-bromo-4-fluoro-3-methylphenol
CID 84711152
2-amino-2-(3,5-difluoro-2,4-dimethylphenyl)ethanol
CID 84776170
(2S)-2-amino-2-(2,3-dichloro-6-fluorophenyl)ethanol
CID 130709750
2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-1-ol
CID 117337268
(2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)ethanol;hydrochloride
CID 171209714
2-(1-aminopropan-2-yl)-6-chloro-4-fluoro-3-methylphenol
CID 117310420
4-amino-4-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)butanoic acid
CID 117408962
(2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride
CID 171206728
2-amino-2-(5-bromo-2-chloro-4-fluorophenyl)ethanol
CID 84712247
6-(1-amino-2-hydroxyethyl)-4-chloro-2,3-dimethylphenol
CID 77129959
(2S)-2-amino-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride
CID 171204906

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-chloro-5-fluoro-2,6-dimethylphenyl)ethanol?
The IUPAC name of 2-amino-2-(3-chloro-5-fluoro-2,6-dimethylphenyl)ethanol (CID 84785836) is 2-amino-2-(3-chloro-5-fluoro-2,6-dimethylphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(3-chloro-5-fluoro-2,6-dimethylphenyl)ethanol?
The canonical SMILES for 2-amino-2-(3-chloro-5-fluoro-2,6-dimethylphenyl)ethanol is Cc1c(F)cc(Cl)c(C)c1C(N)CO.
What is the InChIKey of 2-amino-2-(3-chloro-5-fluoro-2,6-dimethylphenyl)ethanol?
The InChIKey is WFRNPVAWWCJENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-5-7(11)3-8(12)6(2)10(5)9(13)4-14/h3,9,14H,4,13H2,1-2H3.
What are the key properties of 2-amino-2-(3-chloro-5-fluoro-2,6-dimethylphenyl)ethanol?
2-amino-2-(3-chloro-5-fluoro-2,6-dimethylphenyl)ethanol has a molecular weight of 217.67 g/mol, XLogP of 2.09, 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-chloro-5-fluoro-2,6-dimethylphenyl)ethanol is sourced from PubChem (CID 84785836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).