2-amino-6-[(1R)-1-aminopent-4-enyl]-4-fluorophenol

C11H15FN2O — CID 171257284

IUPAC2-amino-6-[(1R)-1-aminopent-4-enyl]-4-fluorophenol
SMILESC=CCC[C@@H](N)c1cc(F)cc(N)c1O
InChIInChI=1S/C11H15FN2O/c1-2-3-4-9(13)8-5-7(12)6-10(14)11(8)15/h2,5-6,9,15H,1,3-4,13-14H2/t9-/m1/s1
InChIKeyGJEZDFKZUKHMPA-SECBINFHSA-N
MW210.25 g/mol
LogP2.08
Rot. Bonds4

About 2-amino-6-[(1R)-1-aminopent-4-enyl]-4-fluorophenol

2-amino-6-[(1R)-1-aminopent-4-enyl]-4-fluorophenol (PubChem CID 171257284) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-amino-6-[(1R)-1-aminopent-4-enyl]-4-fluorophenol.

Molecular Properties

Compound Name2-amino-6-[(1R)-1-aminopent-4-enyl]-4-fluorophenol
PubChem CID171257284
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name2-amino-6-[(1R)-1-aminopent-4-enyl]-4-fluorophenol
SMILESC=CCC[C@@H](N)c1cc(F)cc(N)c1O
InChIInChI=1S/C11H15FN2O/c1-2-3-4-9(13)8-5-7(12)6-10(14)11(8)15/h2,5-6,9,15H,1,3-4,13-14H2/t9-/m1/s1
InChIKeyGJEZDFKZUKHMPA-SECBINFHSA-N
XLogP2.08
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-aminopent-4-enyl]-6-bromo-4-fluorophenol;hydrochloride
CID 171257033
2-[(1S)-1-aminopent-4-enyl]-4-fluoro-6-nitrophenol;hydrochloride
CID 171255499
2-[(1R)-1-aminopent-4-enyl]-4-fluorophenol
CID 171198968
2-amino-6-[(1R)-1-amino-2-hydroxyethyl]-4-fluorophenol;hydrochloride
CID 171253901
2-amino-6-[(1S)-1-aminoprop-2-enyl]-4-fluorophenol
CID 130804785
2-amino-6-[(1R)-1-aminoprop-2-enyl]-4-fluorophenol;hydrochloride
CID 171257243
2-amino-4-fluoro-6-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171298391
2-amino-6-[(1S)-1-amino-3-methylbut-3-enyl]-4-fluorophenol
CID 171253945
2-amino-6-[(1S)-1-amino-3-methylbutyl]-4-fluorophenol
CID 171253937
3-[(1S)-1-aminopent-4-enyl]-5-fluoro-4-hydroxybenzonitrile
CID 171254437
4-[(1S)-1-aminopent-4-enyl]benzene-1,3-diol
CID 171219662
2-[(1R)-1-aminopent-4-enyl]-3,5-difluorophenol;hydrochloride
CID 171256554

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(1R)-1-aminopent-4-enyl]-4-fluorophenol?
The IUPAC name of 2-amino-6-[(1R)-1-aminopent-4-enyl]-4-fluorophenol (CID 171257284) is 2-amino-6-[(1R)-1-aminopent-4-enyl]-4-fluorophenol.
What is the SMILES notation for 2-amino-6-[(1R)-1-aminopent-4-enyl]-4-fluorophenol?
The canonical SMILES for 2-amino-6-[(1R)-1-aminopent-4-enyl]-4-fluorophenol is C=CCC[C@@H](N)c1cc(F)cc(N)c1O.
What is the InChIKey of 2-amino-6-[(1R)-1-aminopent-4-enyl]-4-fluorophenol?
The InChIKey is GJEZDFKZUKHMPA-SECBINFHSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-2-3-4-9(13)8-5-7(12)6-10(14)11(8)15/h2,5-6,9,15H,1,3-4,13-14H2/t9-/m1/s1.
What are the key properties of 2-amino-6-[(1R)-1-aminopent-4-enyl]-4-fluorophenol?
2-amino-6-[(1R)-1-aminopent-4-enyl]-4-fluorophenol has a molecular weight of 210.25 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(1R)-1-aminopent-4-enyl]-4-fluorophenol is sourced from PubChem (CID 171257284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).