2-[(1R,2S)-1-amino-2-hydroxypentyl]-6-fluorophenol;hydrochloride

C11H17ClFNO2 — CID 171260986

IUPAC2-[(1R,2S)-1-amino-2-hydroxypentyl]-6-fluorophenol;hydrochloride
SMILESCCC[C@H](O)[C@H](N)c1cccc(F)c1O.Cl
InChIInChI=1S/C11H16FNO2.ClH/c1-2-4-9(14)10(13)7-5-3-6-8(12)11(7)15;/h3,5-6,9-10,14-15H,2,4,13H2,1H3;1H/t9-,10+;/m0./s1
InChIKeyOMMSNKHGRFWMRX-BAUSSPIASA-N
MW249.71 g/mol
LogP2.11
Rot. Bonds4

About 2-[(1R,2S)-1-amino-2-hydroxypentyl]-6-fluorophenol;hydrochloride

2-[(1R,2S)-1-amino-2-hydroxypentyl]-6-fluorophenol;hydrochloride (PubChem CID 171260986) has the molecular formula C11H17ClFNO2 and a molecular weight of 249.71 g/mol. Its IUPAC name is 2-[(1R,2S)-1-amino-2-hydroxypentyl]-6-fluorophenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R,2S)-1-amino-2-hydroxypentyl]-6-fluorophenol;hydrochloride
PubChem CID171260986
Molecular FormulaC11H17ClFNO2
Molecular Weight249.71 g/mol
Exact Mass249.09
IUPAC Name2-[(1R,2S)-1-amino-2-hydroxypentyl]-6-fluorophenol;hydrochloride
SMILESCCC[C@H](O)[C@H](N)c1cccc(F)c1O.Cl
InChIInChI=1S/C11H16FNO2.ClH/c1-2-4-9(14)10(13)7-5-3-6-8(12)11(7)15;/h3,5-6,9-10,14-15H,2,4,13H2,1H3;1H/t9-,10+;/m0./s1
InChIKeyOMMSNKHGRFWMRX-BAUSSPIASA-N
XLogP2.11
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.71
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R,2S)-1-amino-2-hydroxyhexyl]-6-fluorophenol
CID 171260987
2-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]-6-fluorophenol
CID 171266670
(1S,2R)-1-amino-1-(5-chloro-2-fluorophenyl)pentan-2-ol;hydrochloride
CID 171267367
2-[(1S)-1-aminopentyl]-6-fluorophenol;hydrochloride
CID 171218438
2-(1-amino-2-methylpropyl)-6-fluorophenol
CID 55294236
2-[(1S)-1-aminopentyl]-6-fluorophenol
CID 171218437
(1S,2R)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]pentan-2-ol
CID 171269084
(1S,2R)-1-amino-1-(2,4,5-trifluorophenyl)pentan-2-ol;hydrochloride
CID 171161591
(1R,2S)-1-amino-1-(2,4,5-trifluorophenyl)pentan-2-ol;hydrochloride
CID 171160160
2-[(1S)-1,3-diaminopropyl]-6-fluorophenol;hydrochloride
CID 171218427
(1S,2R)-1-amino-1-(3-fluoro-2-methoxyphenyl)hexan-2-ol;hydrochloride
CID 171267207
(1S,2R)-1-amino-1-(2-chloro-6-fluorophenyl)pentan-2-ol
CID 171161505

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-1-amino-2-hydroxypentyl]-6-fluorophenol;hydrochloride?
The IUPAC name of 2-[(1R,2S)-1-amino-2-hydroxypentyl]-6-fluorophenol;hydrochloride (CID 171260986) is 2-[(1R,2S)-1-amino-2-hydroxypentyl]-6-fluorophenol;hydrochloride.
What is the SMILES notation for 2-[(1R,2S)-1-amino-2-hydroxypentyl]-6-fluorophenol;hydrochloride?
The canonical SMILES for 2-[(1R,2S)-1-amino-2-hydroxypentyl]-6-fluorophenol;hydrochloride is CCC[C@H](O)[C@H](N)c1cccc(F)c1O.Cl.
What is the InChIKey of 2-[(1R,2S)-1-amino-2-hydroxypentyl]-6-fluorophenol;hydrochloride?
The InChIKey is OMMSNKHGRFWMRX-BAUSSPIASA-N. The full InChI is InChI=1S/C11H16FNO2.ClH/c1-2-4-9(14)10(13)7-5-3-6-8(12)11(7)15;/h3,5-6,9-10,14-15H,2,4,13H2,1H3;1H/t9-,10+;/m0./s1.
What are the key properties of 2-[(1R,2S)-1-amino-2-hydroxypentyl]-6-fluorophenol;hydrochloride?
2-[(1R,2S)-1-amino-2-hydroxypentyl]-6-fluorophenol;hydrochloride has a molecular weight of 249.71 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-1-amino-2-hydroxypentyl]-6-fluorophenol;hydrochloride is sourced from PubChem (CID 171260986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).