2-(2,2-difluoroethoxy)-1-(3-methylphenyl)ethanamine

C11H15F2NO — CID 82003944

IUPAC2-(2,2-difluoroethoxy)-1-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(N)COCC(F)F)c1
InChIInChI=1S/C11H15F2NO/c1-8-3-2-4-9(5-8)10(14)6-15-7-11(12)13/h2-5,10-11H,6-7,14H2,1H3
InChIKeyGYJSLAFVUBUUIY-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.28
Rot. Bonds5

About 2-(2,2-difluoroethoxy)-1-(3-methylphenyl)ethanamine

2-(2,2-difluoroethoxy)-1-(3-methylphenyl)ethanamine (PubChem CID 82003944) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-1-(3-methylphenyl)ethanamine
PubChem CID82003944
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name2-(2,2-difluoroethoxy)-1-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(N)COCC(F)F)c1
InChIInChI=1S/C11H15F2NO/c1-8-3-2-4-9(5-8)10(14)6-15-7-11(12)13/h2-5,10-11H,6-7,14H2,1H3
InChIKeyGYJSLAFVUBUUIY-UHFFFAOYSA-N
XLogP2.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-difluoroethoxy)-1-(3-fluorophenyl)ethanamine
CID 107523915
2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)ethanamine
CID 82004138
(1R)-3-fluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171209882
2-heptoxy-1-(3-methylphenyl)ethanamine
CID 61309696
1-methyl-3-[1-[2-(3-methylphenyl)butoxy]butan-2-yl]benzene
CID 139620258
ethane;3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine
CID 156724875
(1R)-3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171209879
2-(3-bromophenoxy)-1-(3-methylphenyl)ethanamine
CID 117242682
(1S)-1-(3-methylphenyl)butane-1,4-diamine
CID 171229474
3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 103148997
(1R)-1-(3-methylphenyl)pentane-1,5-diamine
CID 171209871
1-(3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 116945810

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-1-(3-methylphenyl)ethanamine?
The IUPAC name of 2-(2,2-difluoroethoxy)-1-(3-methylphenyl)ethanamine (CID 82003944) is 2-(2,2-difluoroethoxy)-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-1-(3-methylphenyl)ethanamine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-1-(3-methylphenyl)ethanamine is Cc1cccc(C(N)COCC(F)F)c1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-1-(3-methylphenyl)ethanamine?
The InChIKey is GYJSLAFVUBUUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-8-3-2-4-9(5-8)10(14)6-15-7-11(12)13/h2-5,10-11H,6-7,14H2,1H3.
What are the key properties of 2-(2,2-difluoroethoxy)-1-(3-methylphenyl)ethanamine?
2-(2,2-difluoroethoxy)-1-(3-methylphenyl)ethanamine has a molecular weight of 215.24 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 82003944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).