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

C11H16ClF2NO — CID 171256473

IUPAC6-[(1R)-1-amino-3-methylbutyl]-2,3-difluorophenol;hydrochloride
SMILESCC(C)C[C@@H](N)c1ccc(F)c(F)c1O.Cl
InChIInChI=1S/C11H15F2NO.ClH/c1-6(2)5-9(14)7-3-4-8(12)10(13)11(7)15;/h3-4,6,9,15H,5,14H2,1-2H3;1H/t9-;/m1./s1
InChIKeyGHINCSLJWHANJJ-SBSPUUFOSA-N
MW251.70 g/mol
LogP3.14
Rot. Bonds3

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

6-[(1R)-1-amino-3-methylbutyl]-2,3-difluorophenol;hydrochloride (PubChem CID 171256473) has the molecular formula C11H16ClF2NO and a molecular weight of 251.70 g/mol. Its IUPAC name is 6-[(1R)-1-amino-3-methylbutyl]-2,3-difluorophenol;hydrochloride.

Molecular Properties

Compound Name6-[(1R)-1-amino-3-methylbutyl]-2,3-difluorophenol;hydrochloride
PubChem CID171256473
Molecular FormulaC11H16ClF2NO
Molecular Weight251.70 g/mol
Exact Mass251.09
IUPAC Name6-[(1R)-1-amino-3-methylbutyl]-2,3-difluorophenol;hydrochloride
SMILESCC(C)C[C@@H](N)c1ccc(F)c(F)c1O.Cl
InChIInChI=1S/C11H15F2NO.ClH/c1-6(2)5-9(14)7-3-4-8(12)10(13)11(7)15;/h3-4,6,9,15H,5,14H2,1-2H3;1H/t9-;/m1./s1
InChIKeyGHINCSLJWHANJJ-SBSPUUFOSA-N
XLogP3.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.70
LogP ≤ 53.14
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-amino-6-[(1R)-1-amino-3-methylbutyl]-3-fluorophenol;hydrochloride
CID 171257409
2-amino-6-[(1S)-1-amino-3-methylbutyl]-3-fluorophenol
CID 171254065
6-[(1S)-1-aminoethyl]-2,3-difluorophenol;hydrochloride
CID 171253098
2-[(1R)-1-amino-3-methylbutyl]-6-fluoro-3-methylphenol;hydrochloride
CID 171256902
3-[(1S)-1-amino-3-methylbutyl]benzene-1,2-diol;hydrochloride
CID 171220532
6-[(1S,2R)-1-amino-2-hydroxypropyl]-2,3-difluorophenol
CID 130747229
2-[(1R)-1-amino-3-methylbutyl]-6-bromo-3-fluorophenol;hydrochloride
CID 171256863
6-[(1S)-1-amino-2,2-difluoroethyl]-2,3-difluorophenol
CID 130817233
2,6-difluoro-3-(4-methylpentan-2-yl)phenol
CID 139501163
2-[(1S)-1-amino-3-methylbutyl]-3-fluoro-6-methylphenol
CID 131475415
1-(2-fluoro-5-propan-2-ylphenyl)-3-methylbutan-1-amine
CID 83988506
(1R)-1-(2,6-difluoro-3-methylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171209954

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-amino-3-methylbutyl]-2,3-difluorophenol;hydrochloride?
The IUPAC name of 6-[(1R)-1-amino-3-methylbutyl]-2,3-difluorophenol;hydrochloride (CID 171256473) is 6-[(1R)-1-amino-3-methylbutyl]-2,3-difluorophenol;hydrochloride.
What is the SMILES notation for 6-[(1R)-1-amino-3-methylbutyl]-2,3-difluorophenol;hydrochloride?
The canonical SMILES for 6-[(1R)-1-amino-3-methylbutyl]-2,3-difluorophenol;hydrochloride is CC(C)C[C@@H](N)c1ccc(F)c(F)c1O.Cl.
What is the InChIKey of 6-[(1R)-1-amino-3-methylbutyl]-2,3-difluorophenol;hydrochloride?
The InChIKey is GHINCSLJWHANJJ-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H15F2NO.ClH/c1-6(2)5-9(14)7-3-4-8(12)10(13)11(7)15;/h3-4,6,9,15H,5,14H2,1-2H3;1H/t9-;/m1./s1.
What are the key properties of 6-[(1R)-1-amino-3-methylbutyl]-2,3-difluorophenol;hydrochloride?
6-[(1R)-1-amino-3-methylbutyl]-2,3-difluorophenol;hydrochloride has a molecular weight of 251.70 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-amino-3-methylbutyl]-2,3-difluorophenol;hydrochloride is sourced from PubChem (CID 171256473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).