2-(2-aminoethoxy)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide

C12H16F2N2O2 — CID 79473671

IUPAC2-(2-aminoethoxy)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(F)c(F)c1)C(=O)COCCN
InChIInChI=1S/C12H16F2N2O2/c1-16(12(17)8-18-5-4-15)7-9-2-3-10(13)11(14)6-9/h2-3,6H,4-5,7-8,15H2,1H3
InChIKeyZSIJDEXARWTFLC-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.90
Rot. Bonds6

About 2-(2-aminoethoxy)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide

2-(2-aminoethoxy)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide (PubChem CID 79473671) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
PubChem CID79473671
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-(2-aminoethoxy)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(F)c(F)c1)C(=O)COCCN
InChIInChI=1S/C12H16F2N2O2/c1-16(12(17)8-18-5-4-15)7-9-2-3-10(13)11(14)6-9/h2-3,6H,4-5,7-8,15H2,1H3
InChIKeyZSIJDEXARWTFLC-UHFFFAOYSA-N
XLogP0.90
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 79473063
2-(2-aminoethoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 79463095
2-(2-aminoethoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 79474111
2-(2-aminoethoxy)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 79473191
ethyl N-[(3,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60729593
2-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 60948624
3-[(3,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231927
N-[(3,4-difluorophenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139161
2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 62498032
1-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylformamide
CID 115172325
3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropanamide
CID 115152939
ethyl 3-[(3,4-difluorophenyl)methyl-methylamino]propanoate
CID 113221274

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide (CID 79473671) is 2-(2-aminoethoxy)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide is CN(Cc1ccc(F)c(F)c1)C(=O)COCCN.
What is the InChIKey of 2-(2-aminoethoxy)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide?
The InChIKey is ZSIJDEXARWTFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-16(12(17)8-18-5-4-15)7-9-2-3-10(13)11(14)6-9/h2-3,6H,4-5,7-8,15H2,1H3.
What are the key properties of 2-(2-aminoethoxy)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide?
2-(2-aminoethoxy)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide has a molecular weight of 258.27 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 79473671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).