5-(2-amino-1-hydroxyethyl)-3-fluoro-2-methoxy-6-methylphenol

C10H14FNO3 — CID 117306460

IUPAC5-(2-amino-1-hydroxyethyl)-3-fluoro-2-methoxy-6-methylphenol
SMILESCOc1c(F)cc(C(O)CN)c(C)c1O
InChIInChI=1S/C10H14FNO3/c1-5-6(8(13)4-12)3-7(11)10(15-2)9(5)14/h3,8,13-14H,4,12H2,1-2H3
InChIKeyHWNLUQYHDWJEFK-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.84
Rot. Bonds3

About 5-(2-amino-1-hydroxyethyl)-3-fluoro-2-methoxy-6-methylphenol

5-(2-amino-1-hydroxyethyl)-3-fluoro-2-methoxy-6-methylphenol (PubChem CID 117306460) has the molecular formula C10H14FNO3 and a molecular weight of 215.22 g/mol. Its IUPAC name is 5-(2-amino-1-hydroxyethyl)-3-fluoro-2-methoxy-6-methylphenol.

Molecular Properties

Compound Name5-(2-amino-1-hydroxyethyl)-3-fluoro-2-methoxy-6-methylphenol
PubChem CID117306460
Molecular FormulaC10H14FNO3
Molecular Weight215.22 g/mol
Exact Mass215.10
IUPAC Name5-(2-amino-1-hydroxyethyl)-3-fluoro-2-methoxy-6-methylphenol
SMILESCOc1c(F)cc(C(O)CN)c(C)c1O
InChIInChI=1S/C10H14FNO3/c1-5-6(8(13)4-12)3-7(11)10(15-2)9(5)14/h3,8,13-14H,4,12H2,1-2H3
InChIKeyHWNLUQYHDWJEFK-UHFFFAOYSA-N
XLogP0.84
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-amino-1-hydroxyethyl)-2-methoxy-3,4-dimethylphenol
CID 117301752
4-(2-amino-1-hydroxyethyl)-3-methoxy-2,6-dimethylphenol
CID 84781748
6-(2-amino-1-hydroxyethyl)-4-bromo-2-methoxy-3-methylphenol
CID 84714365
5-(aminooxymethyl)-3-fluoro-2-methoxy-6-methylphenol
CID 117289874
6-(3-amino-1-hydroxypropyl)-3-fluoro-2-methoxyphenol
CID 84680912
6-(4-aminobutan-2-yl)-2,4-difluoro-3-methoxyphenol
CID 84794194
4-(2-amino-1-hydroxyethyl)-2-fluoro-5-methylphenol
CID 84769635
2-amino-1-(5-bromo-2-methoxy-3,4-dimethylphenyl)ethanol
CID 83904205
(1S)-2-amino-1-(2,5-difluoro-4-methylphenyl)ethanol
CID 83001188
2-amino-1-(5-fluoro-2,4-dimethylphenyl)ethanol
CID 84769063
5-[1-(aminomethyl)cyclobutyl]-3-fluoro-2-methoxy-6-methylphenol
CID 117350816
3-(2-amino-1-hydroxyethyl)-4-chloro-5-fluoro-2-methoxyphenol
CID 117343843

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1-hydroxyethyl)-3-fluoro-2-methoxy-6-methylphenol?
The IUPAC name of 5-(2-amino-1-hydroxyethyl)-3-fluoro-2-methoxy-6-methylphenol (CID 117306460) is 5-(2-amino-1-hydroxyethyl)-3-fluoro-2-methoxy-6-methylphenol.
What is the SMILES notation for 5-(2-amino-1-hydroxyethyl)-3-fluoro-2-methoxy-6-methylphenol?
The canonical SMILES for 5-(2-amino-1-hydroxyethyl)-3-fluoro-2-methoxy-6-methylphenol is COc1c(F)cc(C(O)CN)c(C)c1O.
What is the InChIKey of 5-(2-amino-1-hydroxyethyl)-3-fluoro-2-methoxy-6-methylphenol?
The InChIKey is HWNLUQYHDWJEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3/c1-5-6(8(13)4-12)3-7(11)10(15-2)9(5)14/h3,8,13-14H,4,12H2,1-2H3.
What are the key properties of 5-(2-amino-1-hydroxyethyl)-3-fluoro-2-methoxy-6-methylphenol?
5-(2-amino-1-hydroxyethyl)-3-fluoro-2-methoxy-6-methylphenol has a molecular weight of 215.22 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1-hydroxyethyl)-3-fluoro-2-methoxy-6-methylphenol is sourced from PubChem (CID 117306460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).