6-(2-aminopropan-2-yl)-2-fluoro-3-methylphenol

C10H14FNO — CID 117279619

IUPAC6-(2-aminopropan-2-yl)-2-fluoro-3-methylphenol
SMILESCc1ccc(C(C)(C)N)c(O)c1F
InChIInChI=1S/C10H14FNO/c1-6-4-5-7(10(2,3)12)9(13)8(6)11/h4-5,13H,12H2,1-3H3
InChIKeyICKFHWHNSAQOGO-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.03
Rot. Bonds1

About 6-(2-aminopropan-2-yl)-2-fluoro-3-methylphenol

6-(2-aminopropan-2-yl)-2-fluoro-3-methylphenol (PubChem CID 117279619) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 6-(2-aminopropan-2-yl)-2-fluoro-3-methylphenol.

Molecular Properties

Compound Name6-(2-aminopropan-2-yl)-2-fluoro-3-methylphenol
PubChem CID117279619
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name6-(2-aminopropan-2-yl)-2-fluoro-3-methylphenol
SMILESCc1ccc(C(C)(C)N)c(O)c1F
InChIInChI=1S/C10H14FNO/c1-6-4-5-7(10(2,3)12)9(13)8(6)11/h4-5,13H,12H2,1-3H3
InChIKeyICKFHWHNSAQOGO-UHFFFAOYSA-N
XLogP2.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.03
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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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopropan-2-yl)-2-fluoro-3-methylphenol?
The IUPAC name of 6-(2-aminopropan-2-yl)-2-fluoro-3-methylphenol (CID 117279619) is 6-(2-aminopropan-2-yl)-2-fluoro-3-methylphenol.
What is the SMILES notation for 6-(2-aminopropan-2-yl)-2-fluoro-3-methylphenol?
The canonical SMILES for 6-(2-aminopropan-2-yl)-2-fluoro-3-methylphenol is Cc1ccc(C(C)(C)N)c(O)c1F.
What is the InChIKey of 6-(2-aminopropan-2-yl)-2-fluoro-3-methylphenol?
The InChIKey is ICKFHWHNSAQOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-6-4-5-7(10(2,3)12)9(13)8(6)11/h4-5,13H,12H2,1-3H3.
What are the key properties of 6-(2-aminopropan-2-yl)-2-fluoro-3-methylphenol?
6-(2-aminopropan-2-yl)-2-fluoro-3-methylphenol has a molecular weight of 183.23 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopropan-2-yl)-2-fluoro-3-methylphenol is sourced from PubChem (CID 117279619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).