4-[(1S)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol

C10H14FNO3 — CID 171202373

IUPAC4-[(1S)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol
SMILESCOc1cc(O)cc(OC)c1[C@H](N)CF
InChIInChI=1S/C10H14FNO3/c1-14-8-3-6(13)4-9(15-2)10(8)7(12)5-11/h3-4,7,13H,5,12H2,1-2H3/t7-/m1/s1
InChIKeyNWJFOPOTEYJNKJ-SSDOTTSWSA-N
MW215.22 g/mol
LogP1.38
Rot. Bonds4

About 4-[(1S)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol

4-[(1S)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol (PubChem CID 171202373) has the molecular formula C10H14FNO3 and a molecular weight of 215.22 g/mol. Its IUPAC name is 4-[(1S)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol.

Molecular Properties

Compound Name4-[(1S)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol
PubChem CID171202373
Molecular FormulaC10H14FNO3
Molecular Weight215.22 g/mol
Exact Mass215.10
IUPAC Name4-[(1S)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol
SMILESCOc1cc(O)cc(OC)c1[C@H](N)CF
InChIInChI=1S/C10H14FNO3/c1-14-8-3-6(13)4-9(15-2)10(8)7(12)5-11/h3-4,7,13H,5,12H2,1-2H3/t7-/m1/s1
InChIKeyNWJFOPOTEYJNKJ-SSDOTTSWSA-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

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Related Compounds

4-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171202404
2-[(1R)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol
CID 171226643
4-[(1S)-1-amino-4,4,4-trifluorobutyl]-3,5-dimethoxyphenol
CID 171221953
4-[(1R)-1-amino-4,4,4-trifluorobutyl]-3,5-dimethoxyphenol
CID 171202401
4-[(1S)-1-amino-3-methylbut-3-enyl]-3,5-dimethoxyphenol;hydrochloride
CID 171221972
4-[(1S,2R)-1-amino-2-hydroxybutyl]-3,5-dimethoxyphenol
CID 171268735
4-[(1S)-1-aminoethyl]-3,5-dimethoxyphenol;hydrochloride
CID 171221934
4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]-3,5-dimethoxyphenol;hydrochloride
CID 171268752
4-[(1R,2S)-1-amino-2-hydroxypentyl]-3,5-dimethoxyphenol
CID 171263078
2-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171207100
ethyl (3S)-3-amino-2-fluoro-3-(4-hydroxy-2,6-dimethoxyphenyl)propanoate;hydrochloride
CID 171248752
4-[(1R,2S)-1-amino-2-hydroxyhexyl]-3,5-dimethoxyphenol;hydrochloride
CID 171263081

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol?
The IUPAC name of 4-[(1S)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol (CID 171202373) is 4-[(1S)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol.
What is the SMILES notation for 4-[(1S)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol?
The canonical SMILES for 4-[(1S)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol is COc1cc(O)cc(OC)c1[C@H](N)CF.
What is the InChIKey of 4-[(1S)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol?
The InChIKey is NWJFOPOTEYJNKJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14FNO3/c1-14-8-3-6(13)4-9(15-2)10(8)7(12)5-11/h3-4,7,13H,5,12H2,1-2H3/t7-/m1/s1.
What are the key properties of 4-[(1S)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol?
4-[(1S)-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 4-[(1S)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol is sourced from PubChem (CID 171202373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).