1-(2,6-difluorophenyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine

C14H19F2NO — CID 113411965

IUPAC1-(2,6-difluorophenyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
SMILESCC(NCCC1CCOC1)c1c(F)cccc1F
InChIInChI=1S/C14H19F2NO/c1-10(14-12(15)3-2-4-13(14)16)17-7-5-11-6-8-18-9-11/h2-4,10-11,17H,5-9H2,1H3
InChIKeyJEALZLGPCDHOMR-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.04
Rot. Bonds5

About 1-(2,6-difluorophenyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine

1-(2,6-difluorophenyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine (PubChem CID 113411965) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
PubChem CID113411965
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name1-(2,6-difluorophenyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
SMILESCC(NCCC1CCOC1)c1c(F)cccc1F
InChIInChI=1S/C14H19F2NO/c1-10(14-12(15)3-2-4-13(14)16)17-7-5-11-6-8-18-9-11/h2-4,10-11,17H,5-9H2,1H3
InChIKeyJEALZLGPCDHOMR-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-N-(oxan-3-ylmethyl)ethanamine
CID 54906872
1-(3,4-dimethylphenyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 113424522
1-(5-fluoro-3-pyridinyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 113424527
N-(2-cyclobutylethyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115893437
1-(3-methyl-1-benzofuran-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 104538015
1-(2,6-difluorophenyl)-2-(oxolan-3-yl)ethanol
CID 103986582
3-methyl-N-[2-(oxolan-3-yl)ethyl]butan-2-amine
CID 104537978
2-methyl-N-[2-(oxolan-3-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 104537883
1-(1-methylbenzimidazol-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 104538077
1-(1,3-benzodioxol-5-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 103878969
N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 104538043

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine (CID 113411965) is 1-(2,6-difluorophenyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine is CC(NCCC1CCOC1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine?
The InChIKey is JEALZLGPCDHOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-10(14-12(15)3-2-4-13(14)16)17-7-5-11-6-8-18-9-11/h2-4,10-11,17H,5-9H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine?
1-(2,6-difluorophenyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine has a molecular weight of 255.31 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine is sourced from PubChem (CID 113411965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).