2-[(1R)-1-aminohexyl]-4-fluorophenol;hydrochloride

C12H19ClFNO — CID 171198955

IUPAC2-[(1R)-1-aminohexyl]-4-fluorophenol;hydrochloride
SMILESCCCCC[C@@H](N)c1cc(F)ccc1O.Cl
InChIInChI=1S/C12H18FNO.ClH/c1-2-3-4-5-11(14)10-8-9(13)6-7-12(10)15;/h6-8,11,15H,2-5,14H2,1H3;1H/t11-;/m1./s1
InChIKeyTYQWRZWJFGUSJF-RFVHGSKJSA-N
MW247.74 g/mol
LogP3.53
Rot. Bonds5

About 2-[(1R)-1-aminohexyl]-4-fluorophenol;hydrochloride

2-[(1R)-1-aminohexyl]-4-fluorophenol;hydrochloride (PubChem CID 171198955) has the molecular formula C12H19ClFNO and a molecular weight of 247.74 g/mol. Its IUPAC name is 2-[(1R)-1-aminohexyl]-4-fluorophenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-aminohexyl]-4-fluorophenol;hydrochloride
PubChem CID171198955
Molecular FormulaC12H19ClFNO
Molecular Weight247.74 g/mol
Exact Mass247.11
IUPAC Name2-[(1R)-1-aminohexyl]-4-fluorophenol;hydrochloride
SMILESCCCCC[C@@H](N)c1cc(F)ccc1O.Cl
InChIInChI=1S/C12H18FNO.ClH/c1-2-3-4-5-11(14)10-8-9(13)6-7-12(10)15;/h6-8,11,15H,2-5,14H2,1H3;1H/t11-;/m1./s1
InChIKeyTYQWRZWJFGUSJF-RFVHGSKJSA-N
XLogP3.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.74
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-1-aminohexyl]-4-fluorophenol
CID 171218475
2-[(1S)-1-aminobutyl]-4-fluorophenol;hydrochloride
CID 162344095
2-[(1R)-1-aminohexyl]-4-methylphenol;hydrochloride
CID 171202311
2-[(1R)-1-aminopentyl]-4-fluoroaniline;dihydrochloride
CID 162344534
2-[(1R)-1-amino-3,3-difluoropropyl]-4-fluorophenol;hydrochloride
CID 171313455
(1R)-1-(2-bromo-5-fluorophenyl)pentan-1-amine;hydrochloride
CID 171202646
(1S)-1-(2-chloro-4-fluorophenyl)hexan-1-amine
CID 171223780
4-[(1S)-1-aminohexyl]-3-fluorophenol;hydrochloride
CID 171218697
2-[(1R)-1-aminopent-4-enyl]-4-fluorophenol
CID 171198968
2-(1-aminopentyl)-4-chlorophenol
CID 155888158
2-(1-aminobut-3-enyl)-4-fluorophenol;hydrochloride
CID 162344629
(1R)-1-(2-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride
CID 171201221

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminohexyl]-4-fluorophenol;hydrochloride?
The IUPAC name of 2-[(1R)-1-aminohexyl]-4-fluorophenol;hydrochloride (CID 171198955) is 2-[(1R)-1-aminohexyl]-4-fluorophenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-aminohexyl]-4-fluorophenol;hydrochloride?
The canonical SMILES for 2-[(1R)-1-aminohexyl]-4-fluorophenol;hydrochloride is CCCCC[C@@H](N)c1cc(F)ccc1O.Cl.
What is the InChIKey of 2-[(1R)-1-aminohexyl]-4-fluorophenol;hydrochloride?
The InChIKey is TYQWRZWJFGUSJF-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H18FNO.ClH/c1-2-3-4-5-11(14)10-8-9(13)6-7-12(10)15;/h6-8,11,15H,2-5,14H2,1H3;1H/t11-;/m1./s1.
What are the key properties of 2-[(1R)-1-aminohexyl]-4-fluorophenol;hydrochloride?
2-[(1R)-1-aminohexyl]-4-fluorophenol;hydrochloride has a molecular weight of 247.74 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminohexyl]-4-fluorophenol;hydrochloride is sourced from PubChem (CID 171198955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).