2-[(1R)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol

C10H14FNO3 — CID 171226643

IUPAC2-[(1R)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol
SMILESCOc1cc(O)c([C@@H](N)CF)c(OC)c1
InChIInChI=1S/C10H14FNO3/c1-14-6-3-8(13)10(7(12)5-11)9(4-6)15-2/h3-4,7,13H,5,12H2,1-2H3/t7-/m0/s1
InChIKeyOOQJPAXNKNDHDF-ZETCQYMHSA-N
MW215.22 g/mol
LogP1.38
Rot. Bonds4

About 2-[(1R)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol

2-[(1R)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol (PubChem CID 171226643) has the molecular formula C10H14FNO3 and a molecular weight of 215.22 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol.

Molecular Properties

Compound Name2-[(1R)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol
PubChem CID171226643
Molecular FormulaC10H14FNO3
Molecular Weight215.22 g/mol
Exact Mass215.10
IUPAC Name2-[(1R)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol
SMILESCOc1cc(O)c([C@@H](N)CF)c(OC)c1
InChIInChI=1S/C10H14FNO3/c1-14-6-3-8(13)10(7(12)5-11)9(4-6)15-2/h3-4,7,13H,5,12H2,1-2H3/t7-/m0/s1
InChIKeyOOQJPAXNKNDHDF-ZETCQYMHSA-N
XLogP1.38
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171207100
2-[(1R)-1-aminopropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171207080
2-[(1S)-1,2-diaminoethyl]-3,5-dimethoxyphenol;hydrochloride
CID 171207071
2-[(1R)-1-amino-3,3-difluoropropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171313729
2-[(1S)-1-amino-4,4,4-trifluorobutyl]-3,5-dimethoxyphenol
CID 171226671
4-[(1S)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol
CID 171202373
2-[(1S)-1-amino-4-hydroxybutyl]-3,5-dimethoxyphenol;hydrochloride
CID 171226703
2-[(1R)-1-aminobut-3-enyl]-3,5-dimethoxyphenol;hydrochloride
CID 171207086
2-[(1S)-1,5-diaminopentyl]-3,5-dimethoxyphenol;hydrochloride
CID 171226651
2-[(1R)-1-amino-2,2-difluoroethyl]-3,5-dimethoxyphenol;hydrochloride
CID 171242035
methyl (3R)-3-amino-3-(2-hydroxy-4,6-dimethoxyphenyl)propanoate;hydrochloride
CID 171248754
2-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-3,5-dimethoxyphenol
CID 171312435

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol?
The IUPAC name of 2-[(1R)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol (CID 171226643) is 2-[(1R)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol.
What is the SMILES notation for 2-[(1R)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol?
The canonical SMILES for 2-[(1R)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol is COc1cc(O)c([C@@H](N)CF)c(OC)c1.
What is the InChIKey of 2-[(1R)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol?
The InChIKey is OOQJPAXNKNDHDF-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14FNO3/c1-14-6-3-8(13)10(7(12)5-11)9(4-6)15-2/h3-4,7,13H,5,12H2,1-2H3/t7-/m0/s1.
What are the key properties of 2-[(1R)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol?
2-[(1R)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol has a molecular weight of 215.22 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol is sourced from PubChem (CID 171226643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).