4-(1-amino-2,2-dimethylpropyl)-2,6-difluorophenol

C11H15F2NO — CID 130042032

IUPAC4-(1-amino-2,2-dimethylpropyl)-2,6-difluorophenol
SMILESCC(C)(C)C(N)c1cc(F)c(O)c(F)c1
InChIInChI=1S/C11H15F2NO/c1-11(2,3)10(14)6-4-7(12)9(15)8(13)5-6/h4-5,10,15H,14H2,1-3H3
InChIKeyCAGGQOGZPOLRHU-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.72
Rot. Bonds1

About 4-(1-amino-2,2-dimethylpropyl)-2,6-difluorophenol

4-(1-amino-2,2-dimethylpropyl)-2,6-difluorophenol (PubChem CID 130042032) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 4-(1-amino-2,2-dimethylpropyl)-2,6-difluorophenol.

Molecular Properties

Compound Name4-(1-amino-2,2-dimethylpropyl)-2,6-difluorophenol
PubChem CID130042032
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name4-(1-amino-2,2-dimethylpropyl)-2,6-difluorophenol
SMILESCC(C)(C)C(N)c1cc(F)c(O)c(F)c1
InChIInChI=1S/C11H15F2NO/c1-11(2,3)10(14)6-4-7(12)9(15)8(13)5-6/h4-5,10,15H,14H2,1-3H3
InChIKeyCAGGQOGZPOLRHU-UHFFFAOYSA-N
XLogP2.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S)-1-amino-2,2-dimethylpropyl]-2,6-diiodophenol;hydrochloride
CID 171244914
4-[(1S)-1-amino-2,2-dimethylpropyl]-2,6-dimethylphenol;hydrochloride
CID 171241360
4-[(1R)-1-amino-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride
CID 171246271
2-[(1R)-1-amino-2,2-dimethylpropyl]-4-bromo-6-fluorophenol;hydrochloride
CID 171256747
4-(1,2-diaminoethyl)-2,6-difluorophenol
CID 55272259
(1S)-1-(4-chloro-3-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130974244
2-[(1R)-1-amino-2,2-dimethylpropyl]-6-bromo-3,4-difluorophenol
CID 131256767
(1R)-1-(4-chloro-3-fluorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171249553
(2R)-2-amino-2-(3,5-difluoro-4-hydroxyphenyl)acetic acid
CID 130647675
1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43474173
(1R)-1-(3-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130039777
5-[(1R)-1-amino-2,2-dimethylpropyl]-3-nitrobenzene-1,2-diol;hydrochloride
CID 171246414

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2,2-dimethylpropyl)-2,6-difluorophenol?
The IUPAC name of 4-(1-amino-2,2-dimethylpropyl)-2,6-difluorophenol (CID 130042032) is 4-(1-amino-2,2-dimethylpropyl)-2,6-difluorophenol.
What is the SMILES notation for 4-(1-amino-2,2-dimethylpropyl)-2,6-difluorophenol?
The canonical SMILES for 4-(1-amino-2,2-dimethylpropyl)-2,6-difluorophenol is CC(C)(C)C(N)c1cc(F)c(O)c(F)c1.
What is the InChIKey of 4-(1-amino-2,2-dimethylpropyl)-2,6-difluorophenol?
The InChIKey is CAGGQOGZPOLRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-11(2,3)10(14)6-4-7(12)9(15)8(13)5-6/h4-5,10,15H,14H2,1-3H3.
What are the key properties of 4-(1-amino-2,2-dimethylpropyl)-2,6-difluorophenol?
4-(1-amino-2,2-dimethylpropyl)-2,6-difluorophenol has a molecular weight of 215.24 g/mol, XLogP of 2.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2,2-dimethylpropyl)-2,6-difluorophenol is sourced from PubChem (CID 130042032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).