N-ethyl-2,2-difluoro-1-[2-(methoxymethyl)phenyl]ethanamine

C12H17F2NO — CID 80604919

IUPACN-ethyl-2,2-difluoro-1-[2-(methoxymethyl)phenyl]ethanamine
SMILESCCNC(c1ccccc1COC)C(F)F
InChIInChI=1S/C12H17F2NO/c1-3-15-11(12(13)14)10-7-5-4-6-9(10)8-16-2/h4-7,11-12,15H,3,8H2,1-2H3
InChIKeyVUTWAOKYYMYBGR-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.75
Rot. Bonds6

About N-ethyl-2,2-difluoro-1-[2-(methoxymethyl)phenyl]ethanamine

N-ethyl-2,2-difluoro-1-[2-(methoxymethyl)phenyl]ethanamine (PubChem CID 80604919) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is N-ethyl-2,2-difluoro-1-[2-(methoxymethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2,2-difluoro-1-[2-(methoxymethyl)phenyl]ethanamine
PubChem CID80604919
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC NameN-ethyl-2,2-difluoro-1-[2-(methoxymethyl)phenyl]ethanamine
SMILESCCNC(c1ccccc1COC)C(F)F
InChIInChI=1S/C12H17F2NO/c1-3-15-11(12(13)14)10-7-5-4-6-9(10)8-16-2/h4-7,11-12,15H,3,8H2,1-2H3
InChIKeyVUTWAOKYYMYBGR-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethoxyphenyl)-N-ethyl-2,2-difluoroethanamine
CID 80605401
2-methoxy-1-[2-(methoxymethyl)phenyl]ethanol
CID 79567134
N-[1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]propan-1-amine
CID 80604477
N-ethyl-2-methoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116720263
1-(2-ethoxyphenyl)-N-ethyl-2,2-dimethoxyethanamine
CID 79492567
1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 103924687
N-ethyl-1-(2-fluorophenyl)-2-methoxy-2-phenylethanamine
CID 116773160
2,2,2-trifluoro-1-[2-(methoxymethyl)phenyl]ethanesulfonyl chloride
CID 114827543
3-hydroxy-3-[2-(methoxymethyl)phenyl]propanenitrile
CID 79118792
1-(2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 62802882
N-ethyl-1-(2-ethylphenyl)ethanamine
CID 115781037
N-ethyl-2-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-1-amine
CID 115850903

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-difluoro-1-[2-(methoxymethyl)phenyl]ethanamine?
The IUPAC name of N-ethyl-2,2-difluoro-1-[2-(methoxymethyl)phenyl]ethanamine (CID 80604919) is N-ethyl-2,2-difluoro-1-[2-(methoxymethyl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-2,2-difluoro-1-[2-(methoxymethyl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-2,2-difluoro-1-[2-(methoxymethyl)phenyl]ethanamine is CCNC(c1ccccc1COC)C(F)F.
What is the InChIKey of N-ethyl-2,2-difluoro-1-[2-(methoxymethyl)phenyl]ethanamine?
The InChIKey is VUTWAOKYYMYBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-3-15-11(12(13)14)10-7-5-4-6-9(10)8-16-2/h4-7,11-12,15H,3,8H2,1-2H3.
What are the key properties of N-ethyl-2,2-difluoro-1-[2-(methoxymethyl)phenyl]ethanamine?
N-ethyl-2,2-difluoro-1-[2-(methoxymethyl)phenyl]ethanamine has a molecular weight of 229.27 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-difluoro-1-[2-(methoxymethyl)phenyl]ethanamine is sourced from PubChem (CID 80604919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).