2-(2,2-difluoroethoxy)-1-(2-ethoxyphenyl)-N-methylethanamine

C13H19F2NO2 — CID 82005062

IUPAC2-(2,2-difluoroethoxy)-1-(2-ethoxyphenyl)-N-methylethanamine
SMILESCCOc1ccccc1C(COCC(F)F)NC
InChIInChI=1S/C13H19F2NO2/c1-3-18-12-7-5-4-6-10(12)11(16-2)8-17-9-13(14)15/h4-7,11,13,16H,3,8-9H2,1-2H3
InChIKeyRQCUBSYWFFHLHS-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.63
Rot. Bonds8

About 2-(2,2-difluoroethoxy)-1-(2-ethoxyphenyl)-N-methylethanamine

2-(2,2-difluoroethoxy)-1-(2-ethoxyphenyl)-N-methylethanamine (PubChem CID 82005062) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-1-(2-ethoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-1-(2-ethoxyphenyl)-N-methylethanamine
PubChem CID82005062
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name2-(2,2-difluoroethoxy)-1-(2-ethoxyphenyl)-N-methylethanamine
SMILESCCOc1ccccc1C(COCC(F)F)NC
InChIInChI=1S/C13H19F2NO2/c1-3-18-12-7-5-4-6-10(12)11(16-2)8-17-9-13(14)15/h4-7,11,13,16H,3,8-9H2,1-2H3
InChIKeyRQCUBSYWFFHLHS-UHFFFAOYSA-N
XLogP2.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenyl)-4-methoxy-N,3-dimethylbutan-1-amine
CID 105145062
1-(2-ethoxyphenyl)-N-methyldecan-1-amine
CID 115533928
1-(2-ethoxyphenyl)-N-methyl-2-methylsulfonylethanamine
CID 62786081
1-(2-ethoxyphenyl)-N-methyl-3-phenoxypropan-1-amine
CID 62802881
1-(2-methoxyphenyl)-N-methyl-2-(2-propoxyethoxy)ethanamine
CID 63686193
1-(2-ethoxyphenyl)-N,2,3-trimethylbutan-1-amine
CID 115853624
1-(2-ethoxyphenyl)-N-methyl-2-propylsulfinylethanamine
CID 64652372
1-(2-ethoxyphenyl)-N,2-dimethylbutan-1-amine
CID 63717044
1,1,1-trifluoro-3-[2-[1-(methylamino)propyl]phenoxy]propan-2-ol
CID 63899388
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
2-(3-bromo-4-fluorophenyl)-1-(2-ethoxyphenyl)-N-methylethanamine
CID 115533807
N-methyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-1-amine
CID 61492192

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-1-(2-ethoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(2,2-difluoroethoxy)-1-(2-ethoxyphenyl)-N-methylethanamine (CID 82005062) is 2-(2,2-difluoroethoxy)-1-(2-ethoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-1-(2-ethoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-1-(2-ethoxyphenyl)-N-methylethanamine is CCOc1ccccc1C(COCC(F)F)NC.
What is the InChIKey of 2-(2,2-difluoroethoxy)-1-(2-ethoxyphenyl)-N-methylethanamine?
The InChIKey is RQCUBSYWFFHLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-3-18-12-7-5-4-6-10(12)11(16-2)8-17-9-13(14)15/h4-7,11,13,16H,3,8-9H2,1-2H3.
What are the key properties of 2-(2,2-difluoroethoxy)-1-(2-ethoxyphenyl)-N-methylethanamine?
2-(2,2-difluoroethoxy)-1-(2-ethoxyphenyl)-N-methylethanamine has a molecular weight of 259.30 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-1-(2-ethoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 82005062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).