4-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride

C11H17ClFNO3 — CID 171202404

IUPAC4-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride
SMILESCOc1cc(O)cc(OC)c1[C@H](N)CCF.Cl
InChIInChI=1S/C11H16FNO3.ClH/c1-15-9-5-7(14)6-10(16-2)11(9)8(13)3-4-12;/h5-6,8,14H,3-4,13H2,1-2H3;1H/t8-;/m1./s1
InChIKeyCJAPNYWAZFUYSQ-DDWIOCJRSA-N
MW265.71 g/mol
LogP2.19
Rot. Bonds5

About 4-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride

4-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride (PubChem CID 171202404) has the molecular formula C11H17ClFNO3 and a molecular weight of 265.71 g/mol. Its IUPAC name is 4-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride
PubChem CID171202404
Molecular FormulaC11H17ClFNO3
Molecular Weight265.71 g/mol
Exact Mass265.09
IUPAC Name4-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride
SMILESCOc1cc(O)cc(OC)c1[C@H](N)CCF.Cl
InChIInChI=1S/C11H16FNO3.ClH/c1-15-9-5-7(14)6-10(16-2)11(9)8(13)3-4-12;/h5-6,8,14H,3-4,13H2,1-2H3;1H/t8-;/m1./s1
InChIKeyCJAPNYWAZFUYSQ-DDWIOCJRSA-N
XLogP2.19
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.71
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1S)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol
CID 171202373
2-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171207100
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
(1S)-1-(2,6-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171220717
4-[(1S)-1-aminoethyl]-3,5-dimethoxyphenol;hydrochloride
CID 171221934
(1R)-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171201026
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
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

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride?
The IUPAC name of 4-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride (CID 171202404) is 4-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride?
The canonical SMILES for 4-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride is COc1cc(O)cc(OC)c1[C@H](N)CCF.Cl.
What is the InChIKey of 4-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride?
The InChIKey is CJAPNYWAZFUYSQ-DDWIOCJRSA-N. The full InChI is InChI=1S/C11H16FNO3.ClH/c1-15-9-5-7(14)6-10(16-2)11(9)8(13)3-4-12;/h5-6,8,14H,3-4,13H2,1-2H3;1H/t8-;/m1./s1.
What are the key properties of 4-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride?
4-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride has a molecular weight of 265.71 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride is sourced from PubChem (CID 171202404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).