1-(2,3-dimethoxyphenyl)-N-ethyl-2,2-difluoroethanamine

C12H17F2NO2 — CID 80605401

IUPAC1-(2,3-dimethoxyphenyl)-N-ethyl-2,2-difluoroethanamine
SMILESCCNC(c1cccc(OC)c1OC)C(F)F
InChIInChI=1S/C12H17F2NO2/c1-4-15-10(12(13)14)8-6-5-7-9(16-2)11(8)17-3/h5-7,10,12,15H,4H2,1-3H3
InChIKeyXEIRDUGMYXUKEW-UHFFFAOYSA-N
MW245.27 g/mol
LogP2.62
Rot. Bonds6

About 1-(2,3-dimethoxyphenyl)-N-ethyl-2,2-difluoroethanamine

1-(2,3-dimethoxyphenyl)-N-ethyl-2,2-difluoroethanamine (PubChem CID 80605401) has the molecular formula C12H17F2NO2 and a molecular weight of 245.27 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-N-ethyl-2,2-difluoroethanamine.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-N-ethyl-2,2-difluoroethanamine
PubChem CID80605401
Molecular FormulaC12H17F2NO2
Molecular Weight245.27 g/mol
Exact Mass245.12
IUPAC Name1-(2,3-dimethoxyphenyl)-N-ethyl-2,2-difluoroethanamine
SMILESCCNC(c1cccc(OC)c1OC)C(F)F
InChIInChI=1S/C12H17F2NO2/c1-4-15-10(12(13)14)8-6-5-7-9(16-2)11(8)17-3/h5-7,10,12,15H,4H2,1-3H3
InChIKeyXEIRDUGMYXUKEW-UHFFFAOYSA-N
XLogP2.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethoxyphenyl)-N-ethyl-2-methoxyethanamine
CID 105165629
1-(1-fluoropropyl)-2,3-dimethoxybenzene
CID 91020266
N-[cyclopropyl-(2,3-dimethoxyphenyl)methyl]ethanamine
CID 105157205
ethyl 2-(2,3-dimethoxyphenyl)-2-(ethylamino)acetate
CID 54918350
N-ethyl-2,2-difluoro-1-[2-(methoxymethyl)phenyl]ethanamine
CID 80604919
1-(2,3-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-1-amine
CID 105163057
1-(2,3-dimethoxyphenyl)-N-propylpentan-1-amine
CID 105125511
(1S)-1-(2,3-dimethoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171218798
N-[1-(2,3-dimethoxyphenyl)propyl]-2-methylpropan-1-amine
CID 133148533
1-(2,3-dimethoxyphenyl)-N-methylpentan-1-amine
CID 105125537
2-ethoxy-N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine
CID 116717005
N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 82793003

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-N-ethyl-2,2-difluoroethanamine?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-N-ethyl-2,2-difluoroethanamine (CID 80605401) is 1-(2,3-dimethoxyphenyl)-N-ethyl-2,2-difluoroethanamine.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-N-ethyl-2,2-difluoroethanamine?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-N-ethyl-2,2-difluoroethanamine is CCNC(c1cccc(OC)c1OC)C(F)F.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-N-ethyl-2,2-difluoroethanamine?
The InChIKey is XEIRDUGMYXUKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2/c1-4-15-10(12(13)14)8-6-5-7-9(16-2)11(8)17-3/h5-7,10,12,15H,4H2,1-3H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-N-ethyl-2,2-difluoroethanamine?
1-(2,3-dimethoxyphenyl)-N-ethyl-2,2-difluoroethanamine has a molecular weight of 245.27 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-N-ethyl-2,2-difluoroethanamine is sourced from PubChem (CID 80605401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).