1-[1-(2,6-difluorophenyl)ethylamino]propan-2-ol

C11H15F2NO — CID 43499407

IUPAC1-[1-(2,6-difluorophenyl)ethylamino]propan-2-ol
SMILESCC(O)CNC(C)c1c(F)cccc1F
InChIInChI=1S/C11H15F2NO/c1-7(15)6-14-8(2)11-9(12)4-3-5-10(11)13/h3-5,7-8,14-15H,6H2,1-2H3
InChIKeyWIFWDGUZHFVMEG-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.00
Rot. Bonds4

About 1-[1-(2,6-difluorophenyl)ethylamino]propan-2-ol

1-[1-(2,6-difluorophenyl)ethylamino]propan-2-ol (PubChem CID 43499407) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 1-[1-(2,6-difluorophenyl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[1-(2,6-difluorophenyl)ethylamino]propan-2-ol
PubChem CID43499407
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name1-[1-(2,6-difluorophenyl)ethylamino]propan-2-ol
SMILESCC(O)CNC(C)c1c(F)cccc1F
InChIInChI=1S/C11H15F2NO/c1-7(15)6-14-8(2)11-9(12)4-3-5-10(11)13/h3-5,7-8,14-15H,6H2,1-2H3
InChIKeyWIFWDGUZHFVMEG-UHFFFAOYSA-N
XLogP2.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2,6-difluorophenyl)ethylamino]-2-methylpropan-1-ol
CID 65034042
N-[1-(2,6-difluorophenyl)ethyl]-2-methylsulfanylpropan-1-amine
CID 115760935
N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254
1-(2,6-difluorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953069
1-(2,6-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]ethanol
CID 60979791
N-[1-(2,6-difluorophenyl)ethyl]hydroxylamine
CID 82684718
(2R)-1-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol
CID 93081927
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(2,6-difluorophenyl)ethanol
CID 81356349
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
(2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 93033609
1-(2,6-difluorophenyl)ethanol
CID 5012075
5-[1-(2,6-difluorophenyl)ethylamino]-2-methylpentan-1-ol
CID 103905568

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-difluorophenyl)ethylamino]propan-2-ol?
The IUPAC name of 1-[1-(2,6-difluorophenyl)ethylamino]propan-2-ol (CID 43499407) is 1-[1-(2,6-difluorophenyl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-[1-(2,6-difluorophenyl)ethylamino]propan-2-ol?
The canonical SMILES for 1-[1-(2,6-difluorophenyl)ethylamino]propan-2-ol is CC(O)CNC(C)c1c(F)cccc1F.
What is the InChIKey of 1-[1-(2,6-difluorophenyl)ethylamino]propan-2-ol?
The InChIKey is WIFWDGUZHFVMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-7(15)6-14-8(2)11-9(12)4-3-5-10(11)13/h3-5,7-8,14-15H,6H2,1-2H3.
What are the key properties of 1-[1-(2,6-difluorophenyl)ethylamino]propan-2-ol?
1-[1-(2,6-difluorophenyl)ethylamino]propan-2-ol has a molecular weight of 215.24 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-difluorophenyl)ethylamino]propan-2-ol is sourced from PubChem (CID 43499407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).