2-amino-6-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-fluorophenol;hydrochloride

C11H18ClFN2O2 — CID 171257404

IUPAC2-amino-6-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-fluorophenol;hydrochloride
SMILESCC(C)(CO)[C@@H](N)c1ccc(F)c(N)c1O.Cl
InChIInChI=1S/C11H17FN2O2.ClH/c1-11(2,5-15)10(14)6-3-4-7(12)8(13)9(6)16;/h3-4,10,15-16H,5,13-14H2,1-2H3;1H/t10-;/m0./s1
InChIKeyDGIWOIJXGVHFFD-PPHPATTJSA-N
MW264.73 g/mol
LogP1.55
Rot. Bonds3

About 2-amino-6-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-fluorophenol;hydrochloride

2-amino-6-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-fluorophenol;hydrochloride (PubChem CID 171257404) has the molecular formula C11H18ClFN2O2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 2-amino-6-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-fluorophenol;hydrochloride.

Molecular Properties

Compound Name2-amino-6-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-fluorophenol;hydrochloride
PubChem CID171257404
Molecular FormulaC11H18ClFN2O2
Molecular Weight264.73 g/mol
Exact Mass264.10
IUPAC Name2-amino-6-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-fluorophenol;hydrochloride
SMILESCC(C)(CO)[C@@H](N)c1ccc(F)c(N)c1O.Cl
InChIInChI=1S/C11H17FN2O2.ClH/c1-11(2,5-15)10(14)6-3-4-7(12)8(13)9(6)16;/h3-4,10,15-16H,5,13-14H2,1-2H3;1H/t10-;/m0./s1
InChIKeyDGIWOIJXGVHFFD-PPHPATTJSA-N
XLogP1.55
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-hydroxy-2,2-dimethylpropyl]-3-fluorophenol
CID 171254060
2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-fluorophenol;hydrochloride
CID 171245849
6-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-bromo-2-fluorophenol;hydrochloride
CID 171256275
(3R)-3-amino-2,2-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-ol
CID 131473038
(3R)-3-amino-3-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171247074
(3S)-3-amino-3-(2-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171239204
2-amino-6-[(1S)-1-amino-2,2-difluoroethyl]-3-fluorophenol;hydrochloride
CID 171257382
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-fluoro-3-methylphenol;hydrochloride
CID 171253555
ethyl (3S)-3-amino-3-(3-amino-4-fluoro-2-hydroxyphenyl)-2,2-difluoropropanoate;hydrochloride
CID 171257379
3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]benzene-1,2-diol
CID 131376130
2-amino-6-[(1R)-1-amino-3-methylbutyl]-3-fluorophenol;hydrochloride
CID 171257409
(3S)-3-amino-3-(2-amino-5-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 171251102

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-fluorophenol;hydrochloride?
The IUPAC name of 2-amino-6-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-fluorophenol;hydrochloride (CID 171257404) is 2-amino-6-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-fluorophenol;hydrochloride.
What is the SMILES notation for 2-amino-6-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-fluorophenol;hydrochloride?
The canonical SMILES for 2-amino-6-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-fluorophenol;hydrochloride is CC(C)(CO)[C@@H](N)c1ccc(F)c(N)c1O.Cl.
What is the InChIKey of 2-amino-6-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-fluorophenol;hydrochloride?
The InChIKey is DGIWOIJXGVHFFD-PPHPATTJSA-N. The full InChI is InChI=1S/C11H17FN2O2.ClH/c1-11(2,5-15)10(14)6-3-4-7(12)8(13)9(6)16;/h3-4,10,15-16H,5,13-14H2,1-2H3;1H/t10-;/m0./s1.
What are the key properties of 2-amino-6-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-fluorophenol;hydrochloride?
2-amino-6-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-fluorophenol;hydrochloride has a molecular weight of 264.73 g/mol, XLogP of 1.55, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-fluorophenol;hydrochloride is sourced from PubChem (CID 171257404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).