2-amino-6-[(1S)-1-amino-3-methylbutyl]-3-fluorophenol

C11H17FN2O — CID 171254065

IUPAC2-amino-6-[(1S)-1-amino-3-methylbutyl]-3-fluorophenol
SMILESCC(C)C[C@H](N)c1ccc(F)c(N)c1O
InChIInChI=1S/C11H17FN2O/c1-6(2)5-9(13)7-3-4-8(12)10(14)11(7)15/h3-4,6,9,15H,5,13-14H2,1-2H3/t9-/m0/s1
InChIKeyTWIMOZRDUTVCIE-VIFPVBQESA-N
MW212.27 g/mol
LogP2.16
Rot. Bonds3

About 2-amino-6-[(1S)-1-amino-3-methylbutyl]-3-fluorophenol

2-amino-6-[(1S)-1-amino-3-methylbutyl]-3-fluorophenol (PubChem CID 171254065) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-amino-6-[(1S)-1-amino-3-methylbutyl]-3-fluorophenol.

Molecular Properties

Compound Name2-amino-6-[(1S)-1-amino-3-methylbutyl]-3-fluorophenol
PubChem CID171254065
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name2-amino-6-[(1S)-1-amino-3-methylbutyl]-3-fluorophenol
SMILESCC(C)C[C@H](N)c1ccc(F)c(N)c1O
InChIInChI=1S/C11H17FN2O/c1-6(2)5-9(13)7-3-4-8(12)10(14)11(7)15/h3-4,6,9,15H,5,13-14H2,1-2H3/t9-/m0/s1
InChIKeyTWIMOZRDUTVCIE-VIFPVBQESA-N
XLogP2.16
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.16
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'}

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Related Compounds

2-amino-6-[(1R)-1-amino-3-methylbutyl]-3-fluorophenol;hydrochloride
CID 171257409
6-[(1R)-1-amino-3-methylbutyl]-2,3-difluorophenol;hydrochloride
CID 171256473
2-amino-6-[(1S)-1-amino-3-methylbut-3-enyl]-3-fluorophenol;hydrochloride
CID 171254074
2-amino-6-[(1S)-1-amino-2,2-difluoroethyl]-3-fluorophenol
CID 131197380
2-amino-6-[(1S)-1-amino-2,2-difluoroethyl]-3-fluorophenol;hydrochloride
CID 171257382
2-[(1R)-1-amino-3-methylbutyl]-6-fluoro-3-methylphenol;hydrochloride
CID 171256902
2-amino-6-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-fluorophenol
CID 171254060
3-[(1S)-1-amino-3-methylbutyl]benzene-1,2-diol;hydrochloride
CID 171220532
2-[(1S)-1-amino-3-methylbutyl]-3-fluoro-6-methylphenol
CID 131475415
2-amino-6-[(1S)-1-amino-3-methylbutyl]-4-fluorophenol
CID 171253937
2-amino-6-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-fluorophenol;hydrochloride
CID 171257404
1-(2-fluoro-5-propan-2-ylphenyl)-3-methylbutan-1-amine
CID 83988506

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(1S)-1-amino-3-methylbutyl]-3-fluorophenol?
The IUPAC name of 2-amino-6-[(1S)-1-amino-3-methylbutyl]-3-fluorophenol (CID 171254065) is 2-amino-6-[(1S)-1-amino-3-methylbutyl]-3-fluorophenol.
What is the SMILES notation for 2-amino-6-[(1S)-1-amino-3-methylbutyl]-3-fluorophenol?
The canonical SMILES for 2-amino-6-[(1S)-1-amino-3-methylbutyl]-3-fluorophenol is CC(C)C[C@H](N)c1ccc(F)c(N)c1O.
What is the InChIKey of 2-amino-6-[(1S)-1-amino-3-methylbutyl]-3-fluorophenol?
The InChIKey is TWIMOZRDUTVCIE-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17FN2O/c1-6(2)5-9(13)7-3-4-8(12)10(14)11(7)15/h3-4,6,9,15H,5,13-14H2,1-2H3/t9-/m0/s1.
What are the key properties of 2-amino-6-[(1S)-1-amino-3-methylbutyl]-3-fluorophenol?
2-amino-6-[(1S)-1-amino-3-methylbutyl]-3-fluorophenol has a molecular weight of 212.27 g/mol, XLogP of 2.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(1S)-1-amino-3-methylbutyl]-3-fluorophenol is sourced from PubChem (CID 171254065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).