2-[(dimethylamino)methyl]-4-fluorophenol

C9H12FNO — CID 10607220

IUPAC2-[(dimethylamino)methyl]-4-fluorophenol
SMILESCN(C)Cc1cc(F)ccc1O
InChIInChI=1S/C9H12FNO/c1-11(2)6-7-5-8(10)3-4-9(7)12/h3-5,12H,6H2,1-2H3
InChIKeyNEGVGBPSCVOSAI-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.59
Rot. Bonds2

About 2-[(dimethylamino)methyl]-4-fluorophenol

2-[(dimethylamino)methyl]-4-fluorophenol (PubChem CID 10607220) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4-fluorophenol
PubChem CID10607220
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name2-[(dimethylamino)methyl]-4-fluorophenol
SMILESCN(C)Cc1cc(F)ccc1O
InChIInChI=1S/C9H12FNO/c1-11(2)6-7-5-8(10)3-4-9(7)12/h3-5,12H,6H2,1-2H3
InChIKeyNEGVGBPSCVOSAI-UHFFFAOYSA-N
XLogP1.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
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-[(dimethylamino)methyl]-4-fluorophenol?
The IUPAC name of 2-[(dimethylamino)methyl]-4-fluorophenol (CID 10607220) is 2-[(dimethylamino)methyl]-4-fluorophenol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4-fluorophenol?
The canonical SMILES for 2-[(dimethylamino)methyl]-4-fluorophenol is CN(C)Cc1cc(F)ccc1O.
What is the InChIKey of 2-[(dimethylamino)methyl]-4-fluorophenol?
The InChIKey is NEGVGBPSCVOSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-11(2)6-7-5-8(10)3-4-9(7)12/h3-5,12H,6H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-4-fluorophenol?
2-[(dimethylamino)methyl]-4-fluorophenol has a molecular weight of 169.20 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-4-fluorophenol is sourced from PubChem (CID 10607220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).