2-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride

C11H17ClFNO3 — CID 171207100

IUPAC2-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride
SMILESCOc1cc(O)c([C@H](N)CCF)c(OC)c1.Cl
InChIInChI=1S/C11H16FNO3.ClH/c1-15-7-5-9(14)11(8(13)3-4-12)10(6-7)16-2;/h5-6,8,14H,3-4,13H2,1-2H3;1H/t8-;/m1./s1
InChIKeyBQIPSZQQVLRVAI-DDWIOCJRSA-N
MW265.71 g/mol
LogP2.19
Rot. Bonds5

About 2-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride

2-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride (PubChem CID 171207100) has the molecular formula C11H17ClFNO3 and a molecular weight of 265.71 g/mol. Its IUPAC name is 2-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride
PubChem CID171207100
Molecular FormulaC11H17ClFNO3
Molecular Weight265.71 g/mol
Exact Mass265.09
IUPAC Name2-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride
SMILESCOc1cc(O)c([C@H](N)CCF)c(OC)c1.Cl
InChIInChI=1S/C11H16FNO3.ClH/c1-15-7-5-9(14)11(8(13)3-4-12)10(6-7)16-2;/h5-6,8,14H,3-4,13H2,1-2H3;1H/t8-;/m1./s1
InChIKeyBQIPSZQQVLRVAI-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

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol
CID 171226643
2-[(1S)-1,5-diaminopentyl]-3,5-dimethoxyphenol;hydrochloride
CID 171226651
2-[(1S)-1,2-diaminoethyl]-3,5-dimethoxyphenol;hydrochloride
CID 171207071
2-[(1S)-1-amino-4-hydroxybutyl]-3,5-dimethoxyphenol;hydrochloride
CID 171226703
2-[(1S)-1-amino-4,4,4-trifluorobutyl]-3,5-dimethoxyphenol
CID 171226671
2-[(1R)-1-aminopropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171207080
4-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171202404
2-[(1R)-1-amino-3,3-difluoropropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171313729
(1R)-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171201026
2-[(1R)-1-amino-2,2-difluoroethyl]-3,5-dimethoxyphenol;hydrochloride
CID 171242035
2-[(1R)-1-aminobut-3-enyl]-3,5-dimethoxyphenol;hydrochloride
CID 171207086
methyl (3R)-3-amino-3-(2-hydroxy-4,6-dimethoxyphenyl)propanoate;hydrochloride
CID 171248754

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride?
The IUPAC name of 2-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride (CID 171207100) is 2-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride?
The canonical SMILES for 2-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride is COc1cc(O)c([C@H](N)CCF)c(OC)c1.Cl.
What is the InChIKey of 2-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride?
The InChIKey is BQIPSZQQVLRVAI-DDWIOCJRSA-N. The full InChI is InChI=1S/C11H16FNO3.ClH/c1-15-7-5-9(14)11(8(13)3-4-12)10(6-7)16-2;/h5-6,8,14H,3-4,13H2,1-2H3;1H/t8-;/m1./s1.
What are the key properties of 2-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride?
2-[(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 2-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride is sourced from PubChem (CID 171207100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).