3-[(1R)-1-amino-2,2-dimethylpropyl]-2-fluorophenol

C11H16FNO — CID 131151312

IUPAC3-[(1R)-1-amino-2,2-dimethylpropyl]-2-fluorophenol
SMILESCC(C)(C)[C@@H](N)c1cccc(O)c1F
InChIInChI=1S/C11H16FNO/c1-11(2,3)10(13)7-5-4-6-8(14)9(7)12/h4-6,10,14H,13H2,1-3H3/t10-/m0/s1
InChIKeyQSFASTLXEWZJRA-JTQLQIEISA-N
MW197.25 g/mol
LogP2.58
Rot. Bonds1

About 3-[(1R)-1-amino-2,2-dimethylpropyl]-2-fluorophenol

3-[(1R)-1-amino-2,2-dimethylpropyl]-2-fluorophenol (PubChem CID 131151312) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 3-[(1R)-1-amino-2,2-dimethylpropyl]-2-fluorophenol.

Molecular Properties

Compound Name3-[(1R)-1-amino-2,2-dimethylpropyl]-2-fluorophenol
PubChem CID131151312
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name3-[(1R)-1-amino-2,2-dimethylpropyl]-2-fluorophenol
SMILESCC(C)(C)[C@@H](N)c1cccc(O)c1F
InChIInChI=1S/C11H16FNO/c1-11(2,3)10(13)7-5-4-6-8(14)9(7)12/h4-6,10,14H,13H2,1-3H3/t10-/m0/s1
InChIKeyQSFASTLXEWZJRA-JTQLQIEISA-N
XLogP2.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
CID 171242278
2-[(1R)-1-amino-2,2-dimethylpropyl]-6-methylphenol
CID 130731500
2-fluoro-3-propan-2-ylphenol
CID 71302551
4-[(1R)-1-amino-2-methylpropyl]-2,3-difluorophenol
CID 130690034
(1R)-2,2-dimethyl-1-[2-methyl-3-(trifluoromethyl)phenyl]propan-1-amine
CID 170896581
2-(1-amino-2-methylpropyl)-6-fluorophenol
CID 55294236
2-[(1S)-1-amino-2,2-dimethylpropyl]-6-methoxyphenol
CID 131557071
2-[(1S)-1-amino-2-methylpropyl]phenol
CID 14939349
3-(1-amino-2,2-dimethylpropyl)-2-methylaniline
CID 130042028
6-[(1R)-1-amino-2,2-dimethylpropyl]-2-bromo-3-fluorophenol
CID 131611189
(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171247920
2-(1-amino-2,2-dimethylpropyl)-6-chloroaniline
CID 130043324

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-amino-2,2-dimethylpropyl]-2-fluorophenol?
The IUPAC name of 3-[(1R)-1-amino-2,2-dimethylpropyl]-2-fluorophenol (CID 131151312) is 3-[(1R)-1-amino-2,2-dimethylpropyl]-2-fluorophenol.
What is the SMILES notation for 3-[(1R)-1-amino-2,2-dimethylpropyl]-2-fluorophenol?
The canonical SMILES for 3-[(1R)-1-amino-2,2-dimethylpropyl]-2-fluorophenol is CC(C)(C)[C@@H](N)c1cccc(O)c1F.
What is the InChIKey of 3-[(1R)-1-amino-2,2-dimethylpropyl]-2-fluorophenol?
The InChIKey is QSFASTLXEWZJRA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16FNO/c1-11(2,3)10(13)7-5-4-6-8(14)9(7)12/h4-6,10,14H,13H2,1-3H3/t10-/m0/s1.
What are the key properties of 3-[(1R)-1-amino-2,2-dimethylpropyl]-2-fluorophenol?
3-[(1R)-1-amino-2,2-dimethylpropyl]-2-fluorophenol has a molecular weight of 197.25 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-amino-2,2-dimethylpropyl]-2-fluorophenol is sourced from PubChem (CID 131151312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).