2-amino-6-[(1R)-1-amino-3-methylbutyl]-3-fluorophenol;hydrochloride

C11H18ClFN2O — CID 171257409

IUPAC2-amino-6-[(1R)-1-amino-3-methylbutyl]-3-fluorophenol;hydrochloride
SMILESCC(C)C[C@@H](N)c1ccc(F)c(N)c1O.Cl
InChIInChI=1S/C11H17FN2O.ClH/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;1H/t9-;/m1./s1
InChIKeyIUDQGAVFOMBQPW-SBSPUUFOSA-N
MW248.73 g/mol
LogP2.58
Rot. Bonds3

About 2-amino-6-[(1R)-1-amino-3-methylbutyl]-3-fluorophenol;hydrochloride

2-amino-6-[(1R)-1-amino-3-methylbutyl]-3-fluorophenol;hydrochloride (PubChem CID 171257409) has the molecular formula C11H18ClFN2O and a molecular weight of 248.73 g/mol. Its IUPAC name is 2-amino-6-[(1R)-1-amino-3-methylbutyl]-3-fluorophenol;hydrochloride.

Molecular Properties

Compound Name2-amino-6-[(1R)-1-amino-3-methylbutyl]-3-fluorophenol;hydrochloride
PubChem CID171257409
Molecular FormulaC11H18ClFN2O
Molecular Weight248.73 g/mol
Exact Mass248.11
IUPAC Name2-amino-6-[(1R)-1-amino-3-methylbutyl]-3-fluorophenol;hydrochloride
SMILESCC(C)C[C@@H](N)c1ccc(F)c(N)c1O.Cl
InChIInChI=1S/C11H17FN2O.ClH/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;1H/t9-;/m1./s1
InChIKeyIUDQGAVFOMBQPW-SBSPUUFOSA-N
XLogP2.58
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 52.58
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-[(1S)-1-amino-3-methylbutyl]-3-fluorophenol
CID 171254065
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;hydrochloride
CID 171257382
2-[(1R)-1-amino-3-methylbutyl]-6-fluoro-3-methylphenol;hydrochloride
CID 171256902
2-amino-6-[(1S)-1-amino-2,2-difluoroethyl]-3-fluorophenol
CID 131197380
3-[(1S)-1-amino-3-methylbutyl]benzene-1,2-diol;hydrochloride
CID 171220532
2-amino-6-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-fluorophenol;hydrochloride
CID 171257404
2-amino-6-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-fluorophenol
CID 171254060
2-[(1R)-1-amino-3-methylbutyl]-6-bromo-3-fluorophenol;hydrochloride
CID 171256863
2-amino-6-[(1S)-1-amino-3-methylbutyl]-4-fluorophenol
CID 171253937
2-[(1S)-1-amino-3-methylbutyl]-3-fluoro-6-methylphenol
CID 131475415

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(1R)-1-amino-3-methylbutyl]-3-fluorophenol;hydrochloride?
The IUPAC name of 2-amino-6-[(1R)-1-amino-3-methylbutyl]-3-fluorophenol;hydrochloride (CID 171257409) is 2-amino-6-[(1R)-1-amino-3-methylbutyl]-3-fluorophenol;hydrochloride.
What is the SMILES notation for 2-amino-6-[(1R)-1-amino-3-methylbutyl]-3-fluorophenol;hydrochloride?
The canonical SMILES for 2-amino-6-[(1R)-1-amino-3-methylbutyl]-3-fluorophenol;hydrochloride is CC(C)C[C@@H](N)c1ccc(F)c(N)c1O.Cl.
What is the InChIKey of 2-amino-6-[(1R)-1-amino-3-methylbutyl]-3-fluorophenol;hydrochloride?
The InChIKey is IUDQGAVFOMBQPW-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H17FN2O.ClH/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;1H/t9-;/m1./s1.
What are the key properties of 2-amino-6-[(1R)-1-amino-3-methylbutyl]-3-fluorophenol;hydrochloride?
2-amino-6-[(1R)-1-amino-3-methylbutyl]-3-fluorophenol;hydrochloride has a molecular weight of 248.73 g/mol, XLogP of 2.58, 3 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-amino-3-methylbutyl]-3-fluorophenol;hydrochloride is sourced from PubChem (CID 171257409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).