2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methylphenyl)ethanamine

C13H19F2NO — CID 82006484

IUPAC2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methylphenyl)ethanamine
SMILESCCNCC(OCC(F)F)c1cccc(C)c1
InChIInChI=1S/C13H19F2NO/c1-3-16-8-12(17-9-13(14)15)11-6-4-5-10(2)7-11/h4-7,12-13,16H,3,8-9H2,1-2H3
InChIKeyJBNAQXQQLCPLFY-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.93
Rot. Bonds7

About 2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methylphenyl)ethanamine

2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methylphenyl)ethanamine (PubChem CID 82006484) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methylphenyl)ethanamine
PubChem CID82006484
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methylphenyl)ethanamine
SMILESCCNCC(OCC(F)F)c1cccc(C)c1
InChIInChI=1S/C13H19F2NO/c1-3-16-8-12(17-9-13(14)15)11-6-4-5-10(2)7-11/h4-7,12-13,16H,3,8-9H2,1-2H3
InChIKeyJBNAQXQQLCPLFY-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 82006979
N-[2-(2,2-difluoroethoxy)-2-(3-methylphenyl)ethyl]cyclopropanamine
CID 82006736
N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]-2-(3-methylphenyl)ethanamine
CID 104565741
N-ethyl-3-methyl-2-(3-methylphenyl)butan-1-amine
CID 66244260
N-[2-(2-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
CID 103285192
2-(2-cyclopropylethoxy)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 106204917
2-(2,2-difluoroethoxy)-1-(3-methylphenyl)ethanamine
CID 82003944
N-ethyl-2-(3-methoxyphenyl)-2-propoxyethanamine
CID 55036120
N-[2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 62108388
3-(3,5-difluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 105408371
N-[2-(1-ethoxypropan-2-yloxy)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 103490209
N-ethyl-3-(2-fluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79417898

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methylphenyl)ethanamine?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methylphenyl)ethanamine (CID 82006484) is 2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methylphenyl)ethanamine is CCNCC(OCC(F)F)c1cccc(C)c1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methylphenyl)ethanamine?
The InChIKey is JBNAQXQQLCPLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-3-16-8-12(17-9-13(14)15)11-6-4-5-10(2)7-11/h4-7,12-13,16H,3,8-9H2,1-2H3.
What are the key properties of 2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methylphenyl)ethanamine?
2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methylphenyl)ethanamine has a molecular weight of 243.30 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 82006484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).