2-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-N-methylethanamine

C12H17F2NO2 — CID 82004349

IUPAC2-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(COCC(F)F)c1ccc(OC)cc1
InChIInChI=1S/C12H17F2NO2/c1-15-11(7-17-8-12(13)14)9-3-5-10(16-2)6-4-9/h3-6,11-12,15H,7-8H2,1-2H3
InChIKeyYLEYEMBRLDANKZ-UHFFFAOYSA-N
MW245.27 g/mol
LogP2.24
Rot. Bonds7

About 2-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-N-methylethanamine

2-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-N-methylethanamine (PubChem CID 82004349) has the molecular formula C12H17F2NO2 and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-N-methylethanamine
PubChem CID82004349
Molecular FormulaC12H17F2NO2
Molecular Weight245.27 g/mol
Exact Mass245.12
IUPAC Name2-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(COCC(F)F)c1ccc(OC)cc1
InChIInChI=1S/C12H17F2NO2/c1-15-11(7-17-8-12(13)14)9-3-5-10(16-2)6-4-9/h3-6,11-12,15H,7-8H2,1-2H3
InChIKeyYLEYEMBRLDANKZ-UHFFFAOYSA-N
XLogP2.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)-N-methylethanamine
CID 82004737
2-chloro-1-(4-methoxyphenyl)-N-methylethanamine
CID 116952568
3-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)propan-1-amine
CID 103148805
3-(2,2-difluoroethoxy)-1-(4-methoxy-2-methylphenyl)-N-methylpropan-1-amine
CID 103149230
1-(4-methoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949257
2-(2-bromo-5-fluorophenoxy)-1-(4-methoxyphenyl)-N-methylethanamine
CID 135275298
1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 43280106
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 43481478
1-(4-methoxyphenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949687
4-methoxy-N,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine
CID 105144752
(1S)-1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 139630399
1-[fluoro-(4-methoxyphenyl)methyl]-4-methoxybenzene
CID 15206991

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-N-methylethanamine (CID 82004349) is 2-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-N-methylethanamine is CNC(COCC(F)F)c1ccc(OC)cc1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-N-methylethanamine?
The InChIKey is YLEYEMBRLDANKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2/c1-15-11(7-17-8-12(13)14)9-3-5-10(16-2)6-4-9/h3-6,11-12,15H,7-8H2,1-2H3.
What are the key properties of 2-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-N-methylethanamine?
2-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-N-methylethanamine has a molecular weight of 245.27 g/mol, XLogP of 2.24, 7 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-(4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 82004349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).