2-(2,2-difluoroethoxy)-N-[(3,5-difluorophenyl)methyl]ethanamine

C11H13F4NO — CID 103081062

IUPAC2-(2,2-difluoroethoxy)-N-[(3,5-difluorophenyl)methyl]ethanamine
SMILESFc1cc(F)cc(CNCCOCC(F)F)c1
InChIInChI=1S/C11H13F4NO/c12-9-3-8(4-10(13)5-9)6-16-1-2-17-7-11(14)15/h3-5,11,16H,1-2,6-7H2
InChIKeyWAENQZGKRPHJRO-UHFFFAOYSA-N
MW251.22 g/mol
LogP2.34
Rot. Bonds7

About 2-(2,2-difluoroethoxy)-N-[(3,5-difluorophenyl)methyl]ethanamine

2-(2,2-difluoroethoxy)-N-[(3,5-difluorophenyl)methyl]ethanamine (PubChem CID 103081062) has the molecular formula C11H13F4NO and a molecular weight of 251.22 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-[(3,5-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-[(3,5-difluorophenyl)methyl]ethanamine
PubChem CID103081062
Molecular FormulaC11H13F4NO
Molecular Weight251.22 g/mol
Exact Mass251.09
IUPAC Name2-(2,2-difluoroethoxy)-N-[(3,5-difluorophenyl)methyl]ethanamine
SMILESFc1cc(F)cc(CNCCOCC(F)F)c1
InChIInChI=1S/C11H13F4NO/c12-9-3-8(4-10(13)5-9)6-16-1-2-17-7-11(14)15/h3-5,11,16H,1-2,6-7H2
InChIKeyWAENQZGKRPHJRO-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-but-3-enoxy-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 103854397
N-[(2-chloro-4-fluorophenyl)methyl]-2-(2,2-difluoroethoxy)ethanamine
CID 103081168
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2-(2,2-difluoroethoxy)ethanamine
CID 103081067
2-(2,2-difluoroethoxy)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine
CID 103081000
4-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-3,5-difluorobenzonitrile
CID 107166910
2-(2,2-difluoroethoxy)-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 103081182
2-(2,2-difluoroethoxy)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 103081275
2,6-difluoro-4-[[2-(2-methylpropoxy)ethylamino]methyl]phenol
CID 113251415
N-benzyl-3-(2,2-difluoroethoxy)propan-1-amine
CID 114782953
N-[(3,5-difluorophenyl)methyl]-3-methylbutan-1-amine
CID 21355559
2-(2,2-difluoroethoxy)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 103527742
4-(2,2-difluoroethoxy)-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine
CID 103149509

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-[(3,5-difluorophenyl)methyl]ethanamine?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-[(3,5-difluorophenyl)methyl]ethanamine (CID 103081062) is 2-(2,2-difluoroethoxy)-N-[(3,5-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-[(3,5-difluorophenyl)methyl]ethanamine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-[(3,5-difluorophenyl)methyl]ethanamine is Fc1cc(F)cc(CNCCOCC(F)F)c1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-[(3,5-difluorophenyl)methyl]ethanamine?
The InChIKey is WAENQZGKRPHJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4NO/c12-9-3-8(4-10(13)5-9)6-16-1-2-17-7-11(14)15/h3-5,11,16H,1-2,6-7H2.
What are the key properties of 2-(2,2-difluoroethoxy)-N-[(3,5-difluorophenyl)methyl]ethanamine?
2-(2,2-difluoroethoxy)-N-[(3,5-difluorophenyl)methyl]ethanamine has a molecular weight of 251.22 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-[(3,5-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 103081062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).