2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-fluorophenol

C12H19FN2O — CID 117325746

IUPAC2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-fluorophenol
SMILESCC(N)Cc1cc(CN(C)C)cc(F)c1O
InChIInChI=1S/C12H19FN2O/c1-8(14)4-10-5-9(7-15(2)3)6-11(13)12(10)16/h5-6,8,16H,4,7,14H2,1-3H3
InChIKeyQBQSXFXLZSMSDL-UHFFFAOYSA-N
MW226.29 g/mol
LogP1.48
Rot. Bonds4

About 2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-fluorophenol

2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-fluorophenol (PubChem CID 117325746) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-fluorophenol.

Molecular Properties

Compound Name2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-fluorophenol
PubChem CID117325746
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-fluorophenol
SMILESCC(N)Cc1cc(CN(C)C)cc(F)c1O
InChIInChI=1S/C12H19FN2O/c1-8(14)4-10-5-9(7-15(2)3)6-11(13)12(10)16/h5-6,8,16H,4,7,14H2,1-3H3
InChIKeyQBQSXFXLZSMSDL-UHFFFAOYSA-N
XLogP1.48
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-fluorophenol?
The IUPAC name of 2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-fluorophenol (CID 117325746) is 2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-fluorophenol.
What is the SMILES notation for 2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-fluorophenol?
The canonical SMILES for 2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-fluorophenol is CC(N)Cc1cc(CN(C)C)cc(F)c1O.
What is the InChIKey of 2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-fluorophenol?
The InChIKey is QBQSXFXLZSMSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-8(14)4-10-5-9(7-15(2)3)6-11(13)12(10)16/h5-6,8,16H,4,7,14H2,1-3H3.
What are the key properties of 2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-fluorophenol?
2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-fluorophenol has a molecular weight of 226.29 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-fluorophenol is sourced from PubChem (CID 117325746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).