2-[3-(dimethylamino)propyl]-4,6-difluorophenol

C11H15F2NO — CID 170865567

IUPAC2-[3-(dimethylamino)propyl]-4,6-difluorophenol
SMILESCN(C)CCCc1cc(F)cc(F)c1O
InChIInChI=1S/C11H15F2NO/c1-14(2)5-3-4-8-6-9(12)7-10(13)11(8)15/h6-7,15H,3-5H2,1-2H3
InChIKeyIQWMRBGGCAYWCG-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.16
Rot. Bonds4

About 2-[3-(dimethylamino)propyl]-4,6-difluorophenol

2-[3-(dimethylamino)propyl]-4,6-difluorophenol (PubChem CID 170865567) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]-4,6-difluorophenol.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl]-4,6-difluorophenol
PubChem CID170865567
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name2-[3-(dimethylamino)propyl]-4,6-difluorophenol
SMILESCN(C)CCCc1cc(F)cc(F)c1O
InChIInChI=1S/C11H15F2NO/c1-14(2)5-3-4-8-6-9(12)7-10(13)11(8)15/h6-7,15H,3-5H2,1-2H3
InChIKeyIQWMRBGGCAYWCG-UHFFFAOYSA-N
XLogP2.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl]-4,6-difluorophenol?
The IUPAC name of 2-[3-(dimethylamino)propyl]-4,6-difluorophenol (CID 170865567) is 2-[3-(dimethylamino)propyl]-4,6-difluorophenol.
What is the SMILES notation for 2-[3-(dimethylamino)propyl]-4,6-difluorophenol?
The canonical SMILES for 2-[3-(dimethylamino)propyl]-4,6-difluorophenol is CN(C)CCCc1cc(F)cc(F)c1O.
What is the InChIKey of 2-[3-(dimethylamino)propyl]-4,6-difluorophenol?
The InChIKey is IQWMRBGGCAYWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-14(2)5-3-4-8-6-9(12)7-10(13)11(8)15/h6-7,15H,3-5H2,1-2H3.
What are the key properties of 2-[3-(dimethylamino)propyl]-4,6-difluorophenol?
2-[3-(dimethylamino)propyl]-4,6-difluorophenol has a molecular weight of 215.24 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl]-4,6-difluorophenol is sourced from PubChem (CID 170865567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).