5-(2-aminopropan-2-yl)-2-fluoro-3,6-dimethylphenol

C11H16FNO — CID 84774489

IUPAC5-(2-aminopropan-2-yl)-2-fluoro-3,6-dimethylphenol
SMILESCc1cc(C(C)(C)N)c(C)c(O)c1F
InChIInChI=1S/C11H16FNO/c1-6-5-8(11(3,4)13)7(2)10(14)9(6)12/h5,14H,13H2,1-4H3
InChIKeyMUXAMNDUHRSMOT-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.34
Rot. Bonds1

About 5-(2-aminopropan-2-yl)-2-fluoro-3,6-dimethylphenol

5-(2-aminopropan-2-yl)-2-fluoro-3,6-dimethylphenol (PubChem CID 84774489) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 5-(2-aminopropan-2-yl)-2-fluoro-3,6-dimethylphenol.

Molecular Properties

Compound Name5-(2-aminopropan-2-yl)-2-fluoro-3,6-dimethylphenol
PubChem CID84774489
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name5-(2-aminopropan-2-yl)-2-fluoro-3,6-dimethylphenol
SMILESCc1cc(C(C)(C)N)c(C)c(O)c1F
InChIInChI=1S/C11H16FNO/c1-6-5-8(11(3,4)13)7(2)10(14)9(6)12/h5,14H,13H2,1-4H3
InChIKeyMUXAMNDUHRSMOT-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropan-2-yl)-2-fluoro-3,6-dimethylphenol?
The IUPAC name of 5-(2-aminopropan-2-yl)-2-fluoro-3,6-dimethylphenol (CID 84774489) is 5-(2-aminopropan-2-yl)-2-fluoro-3,6-dimethylphenol.
What is the SMILES notation for 5-(2-aminopropan-2-yl)-2-fluoro-3,6-dimethylphenol?
The canonical SMILES for 5-(2-aminopropan-2-yl)-2-fluoro-3,6-dimethylphenol is Cc1cc(C(C)(C)N)c(C)c(O)c1F.
What is the InChIKey of 5-(2-aminopropan-2-yl)-2-fluoro-3,6-dimethylphenol?
The InChIKey is MUXAMNDUHRSMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-6-5-8(11(3,4)13)7(2)10(14)9(6)12/h5,14H,13H2,1-4H3.
What are the key properties of 5-(2-aminopropan-2-yl)-2-fluoro-3,6-dimethylphenol?
5-(2-aminopropan-2-yl)-2-fluoro-3,6-dimethylphenol has a molecular weight of 197.25 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropan-2-yl)-2-fluoro-3,6-dimethylphenol is sourced from PubChem (CID 84774489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).