2-[(1S)-1-aminobutyl]-4-fluorophenol;hydrochloride

C10H15ClFNO — CID 162344095

IUPAC2-[(1S)-1-aminobutyl]-4-fluorophenol;hydrochloride
SMILESCCC[C@H](N)c1cc(F)ccc1O.Cl
InChIInChI=1S/C10H14FNO.ClH/c1-2-3-9(12)8-6-7(11)4-5-10(8)13;/h4-6,9,13H,2-3,12H2,1H3;1H/t9-;/m0./s1
InChIKeyZDGOPNCGZCIGKO-FVGYRXGTSA-N
MW219.69 g/mol
LogP2.75
Rot. Bonds3

About 2-[(1S)-1-aminobutyl]-4-fluorophenol;hydrochloride

2-[(1S)-1-aminobutyl]-4-fluorophenol;hydrochloride (PubChem CID 162344095) has the molecular formula C10H15ClFNO and a molecular weight of 219.69 g/mol. Its IUPAC name is 2-[(1S)-1-aminobutyl]-4-fluorophenol;hydrochloride.

Molecular Properties

Compound Name2-[(1S)-1-aminobutyl]-4-fluorophenol;hydrochloride
PubChem CID162344095
Molecular FormulaC10H15ClFNO
Molecular Weight219.69 g/mol
Exact Mass219.08
IUPAC Name2-[(1S)-1-aminobutyl]-4-fluorophenol;hydrochloride
SMILESCCC[C@H](N)c1cc(F)ccc1O.Cl
InChIInChI=1S/C10H14FNO.ClH/c1-2-3-9(12)8-6-7(11)4-5-10(8)13;/h4-6,9,13H,2-3,12H2,1H3;1H/t9-;/m0./s1
InChIKeyZDGOPNCGZCIGKO-FVGYRXGTSA-N
XLogP2.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-aminohexyl]-4-fluorophenol;hydrochloride
CID 171198955
2-[(1S)-1-aminohexyl]-4-fluorophenol
CID 171218475
2-[(1R)-1-amino-3,3-difluoropropyl]-4-fluorophenol;hydrochloride
CID 171313455
1-(2-ethyl-5-fluorophenyl)butan-1-amine
CID 55268868
2-[(1S)-1-aminobutyl]-4-fluoroaniline
CID 130859699
1-(2-bromo-5-fluorophenyl)butan-1-amine
CID 83988354
(1S)-1-(4-fluoro-2-methylphenyl)butan-1-amine;hydrochloride
CID 171221352
(1S)-1-(2-bromo-5-fluorophenyl)butan-1-amine
CID 103694433
(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 171228674
2-[(1R)-1-aminopent-4-enyl]-4-fluorophenol
CID 171198968
2-[(1S)-1-aminobutyl]-4,5-difluorophenol
CID 130865865
(3S)-3-amino-3-(5-fluoro-2-hydroxyphenyl)propanoic acid;hydrochloride
CID 162344213

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminobutyl]-4-fluorophenol;hydrochloride?
The IUPAC name of 2-[(1S)-1-aminobutyl]-4-fluorophenol;hydrochloride (CID 162344095) is 2-[(1S)-1-aminobutyl]-4-fluorophenol;hydrochloride.
What is the SMILES notation for 2-[(1S)-1-aminobutyl]-4-fluorophenol;hydrochloride?
The canonical SMILES for 2-[(1S)-1-aminobutyl]-4-fluorophenol;hydrochloride is CCC[C@H](N)c1cc(F)ccc1O.Cl.
What is the InChIKey of 2-[(1S)-1-aminobutyl]-4-fluorophenol;hydrochloride?
The InChIKey is ZDGOPNCGZCIGKO-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H14FNO.ClH/c1-2-3-9(12)8-6-7(11)4-5-10(8)13;/h4-6,9,13H,2-3,12H2,1H3;1H/t9-;/m0./s1.
What are the key properties of 2-[(1S)-1-aminobutyl]-4-fluorophenol;hydrochloride?
2-[(1S)-1-aminobutyl]-4-fluorophenol;hydrochloride has a molecular weight of 219.69 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminobutyl]-4-fluorophenol;hydrochloride is sourced from PubChem (CID 162344095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).