2-(2-amino-2-methylpropyl)-4-[(dimethylamino)methyl]-6-fluorophenol

C13H21FN2O — CID 117353759

IUPAC2-(2-amino-2-methylpropyl)-4-[(dimethylamino)methyl]-6-fluorophenol
SMILESCN(C)Cc1cc(F)c(O)c(CC(C)(C)N)c1
InChIInChI=1S/C13H21FN2O/c1-13(2,15)7-10-5-9(8-16(3)4)6-11(14)12(10)17/h5-6,17H,7-8,15H2,1-4H3
InChIKeyXPVUDOWYDGJAPX-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.87
Rot. Bonds4

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

2-(2-amino-2-methylpropyl)-4-[(dimethylamino)methyl]-6-fluorophenol (PubChem CID 117353759) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-(2-amino-2-methylpropyl)-4-[(dimethylamino)methyl]-6-fluorophenol.

Molecular Properties

Compound Name2-(2-amino-2-methylpropyl)-4-[(dimethylamino)methyl]-6-fluorophenol
PubChem CID117353759
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name2-(2-amino-2-methylpropyl)-4-[(dimethylamino)methyl]-6-fluorophenol
SMILESCN(C)Cc1cc(F)c(O)c(CC(C)(C)N)c1
InChIInChI=1S/C13H21FN2O/c1-13(2,15)7-10-5-9(8-16(3)4)6-11(14)12(10)17/h5-6,17H,7-8,15H2,1-4H3
InChIKeyXPVUDOWYDGJAPX-UHFFFAOYSA-N
XLogP1.87
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylpropyl)-4-[(dimethylamino)methyl]-6-fluorophenol?
The IUPAC name of 2-(2-amino-2-methylpropyl)-4-[(dimethylamino)methyl]-6-fluorophenol (CID 117353759) is 2-(2-amino-2-methylpropyl)-4-[(dimethylamino)methyl]-6-fluorophenol.
What is the SMILES notation for 2-(2-amino-2-methylpropyl)-4-[(dimethylamino)methyl]-6-fluorophenol?
The canonical SMILES for 2-(2-amino-2-methylpropyl)-4-[(dimethylamino)methyl]-6-fluorophenol is CN(C)Cc1cc(F)c(O)c(CC(C)(C)N)c1.
What is the InChIKey of 2-(2-amino-2-methylpropyl)-4-[(dimethylamino)methyl]-6-fluorophenol?
The InChIKey is XPVUDOWYDGJAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-13(2,15)7-10-5-9(8-16(3)4)6-11(14)12(10)17/h5-6,17H,7-8,15H2,1-4H3.
What are the key properties of 2-(2-amino-2-methylpropyl)-4-[(dimethylamino)methyl]-6-fluorophenol?
2-(2-amino-2-methylpropyl)-4-[(dimethylamino)methyl]-6-fluorophenol has a molecular weight of 240.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylpropyl)-4-[(dimethylamino)methyl]-6-fluorophenol is sourced from PubChem (CID 117353759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).