2-[(2,6-difluorophenyl)methyl-propylamino]ethanol

C12H17F2NO — CID 3765365

IUPAC2-[(2,6-difluorophenyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1c(F)cccc1F
InChIInChI=1S/C12H17F2NO/c1-2-6-15(7-8-16)9-10-11(13)4-3-5-12(10)14/h3-5,16H,2,6-9H2,1H3
InChIKeyOYTSGADEQWLQNM-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.17
Rot. Bonds6

About 2-[(2,6-difluorophenyl)methyl-propylamino]ethanol

2-[(2,6-difluorophenyl)methyl-propylamino]ethanol (PubChem CID 3765365) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methyl-propylamino]ethanol
PubChem CID3765365
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name2-[(2,6-difluorophenyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1c(F)cccc1F
InChIInChI=1S/C12H17F2NO/c1-2-6-15(7-8-16)9-10-11(13)4-3-5-12(10)14/h3-5,16H,2,6-9H2,1H3
InChIKeyOYTSGADEQWLQNM-UHFFFAOYSA-N
XLogP2.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methyl-propylamino]ethanol?
The IUPAC name of 2-[(2,6-difluorophenyl)methyl-propylamino]ethanol (CID 3765365) is 2-[(2,6-difluorophenyl)methyl-propylamino]ethanol.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methyl-propylamino]ethanol?
The canonical SMILES for 2-[(2,6-difluorophenyl)methyl-propylamino]ethanol is CCCN(CCO)Cc1c(F)cccc1F.
What is the InChIKey of 2-[(2,6-difluorophenyl)methyl-propylamino]ethanol?
The InChIKey is OYTSGADEQWLQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-2-6-15(7-8-16)9-10-11(13)4-3-5-12(10)14/h3-5,16H,2,6-9H2,1H3.
What are the key properties of 2-[(2,6-difluorophenyl)methyl-propylamino]ethanol?
2-[(2,6-difluorophenyl)methyl-propylamino]ethanol has a molecular weight of 229.27 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methyl-propylamino]ethanol is sourced from PubChem (CID 3765365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).