2-(1-amino-2-methylpropyl)-6-fluorophenol

C10H14FNO — CID 55294236

IUPAC2-(1-amino-2-methylpropyl)-6-fluorophenol
SMILESCC(C)C(N)c1cccc(F)c1O
InChIInChI=1S/C10H14FNO/c1-6(2)9(12)7-4-3-5-8(11)10(7)13/h3-6,9,13H,12H2,1-2H3
InChIKeyIEGUJXTZZCMHIX-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.19
Rot. Bonds2

About 2-(1-amino-2-methylpropyl)-6-fluorophenol

2-(1-amino-2-methylpropyl)-6-fluorophenol (PubChem CID 55294236) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-(1-amino-2-methylpropyl)-6-fluorophenol.

Molecular Properties

Compound Name2-(1-amino-2-methylpropyl)-6-fluorophenol
PubChem CID55294236
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name2-(1-amino-2-methylpropyl)-6-fluorophenol
SMILESCC(C)C(N)c1cccc(F)c1O
InChIInChI=1S/C10H14FNO/c1-6(2)9(12)7-4-3-5-8(11)10(7)13/h3-6,9,13H,12H2,1-2H3
InChIKeyIEGUJXTZZCMHIX-UHFFFAOYSA-N
XLogP2.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.19
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 2-(1-amino-2-methylpropyl)-6-fluorophenol?
The IUPAC name of 2-(1-amino-2-methylpropyl)-6-fluorophenol (CID 55294236) is 2-(1-amino-2-methylpropyl)-6-fluorophenol.
What is the SMILES notation for 2-(1-amino-2-methylpropyl)-6-fluorophenol?
The canonical SMILES for 2-(1-amino-2-methylpropyl)-6-fluorophenol is CC(C)C(N)c1cccc(F)c1O.
What is the InChIKey of 2-(1-amino-2-methylpropyl)-6-fluorophenol?
The InChIKey is IEGUJXTZZCMHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-6(2)9(12)7-4-3-5-8(11)10(7)13/h3-6,9,13H,12H2,1-2H3.
What are the key properties of 2-(1-amino-2-methylpropyl)-6-fluorophenol?
2-(1-amino-2-methylpropyl)-6-fluorophenol has a molecular weight of 183.23 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylpropyl)-6-fluorophenol is sourced from PubChem (CID 55294236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).