3-[1-(2,6-difluorophenyl)ethylamino]-2-methylpropan-1-ol

C12H17F2NO — CID 65034042

IUPAC3-[1-(2,6-difluorophenyl)ethylamino]-2-methylpropan-1-ol
SMILESCC(CO)CNC(C)c1c(F)cccc1F
InChIInChI=1S/C12H17F2NO/c1-8(7-16)6-15-9(2)12-10(13)4-3-5-11(12)14/h3-5,8-9,15-16H,6-7H2,1-2H3
InChIKeyCGAOVMBFPDKQOX-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.24
Rot. Bonds5

About 3-[1-(2,6-difluorophenyl)ethylamino]-2-methylpropan-1-ol

3-[1-(2,6-difluorophenyl)ethylamino]-2-methylpropan-1-ol (PubChem CID 65034042) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 3-[1-(2,6-difluorophenyl)ethylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[1-(2,6-difluorophenyl)ethylamino]-2-methylpropan-1-ol
PubChem CID65034042
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name3-[1-(2,6-difluorophenyl)ethylamino]-2-methylpropan-1-ol
SMILESCC(CO)CNC(C)c1c(F)cccc1F
InChIInChI=1S/C12H17F2NO/c1-8(7-16)6-15-9(2)12-10(13)4-3-5-11(12)14/h3-5,8-9,15-16H,6-7H2,1-2H3
InChIKeyCGAOVMBFPDKQOX-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2,6-difluorophenyl)ethylamino]propan-2-ol
CID 43499407
5-[1-(2,6-difluorophenyl)ethylamino]-2-methylpentan-1-ol
CID 103905568
N-[1-(2,6-difluorophenyl)ethyl]-2-methylsulfanylpropan-1-amine
CID 115760935
2-[1-(2,6-difluorophenyl)ethylamino]-3-methylbutan-1-ol
CID 79253650
N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254
N-[1-(2,6-difluorophenyl)ethyl]hydroxylamine
CID 82684718
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methoxy-2-methylpropan-1-amine
CID 112700304
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
1-(2,6-difluorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953069
1-(2,6-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]ethanol
CID 60979791
2-methyl-3-[1-(4-methylphenyl)ethylamino]propan-1-ol
CID 65034209
N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]methanesulfonamide
CID 103776626

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-difluorophenyl)ethylamino]-2-methylpropan-1-ol?
The IUPAC name of 3-[1-(2,6-difluorophenyl)ethylamino]-2-methylpropan-1-ol (CID 65034042) is 3-[1-(2,6-difluorophenyl)ethylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[1-(2,6-difluorophenyl)ethylamino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[1-(2,6-difluorophenyl)ethylamino]-2-methylpropan-1-ol is CC(CO)CNC(C)c1c(F)cccc1F.
What is the InChIKey of 3-[1-(2,6-difluorophenyl)ethylamino]-2-methylpropan-1-ol?
The InChIKey is CGAOVMBFPDKQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-8(7-16)6-15-9(2)12-10(13)4-3-5-11(12)14/h3-5,8-9,15-16H,6-7H2,1-2H3.
What are the key properties of 3-[1-(2,6-difluorophenyl)ethylamino]-2-methylpropan-1-ol?
3-[1-(2,6-difluorophenyl)ethylamino]-2-methylpropan-1-ol has a molecular weight of 229.27 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,6-difluorophenyl)ethylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 65034042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).