2-(2,2-difluoroethoxy)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine

C13H19F2NO2 — CID 103081000

IUPAC2-(2,2-difluoroethoxy)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine
SMILESCOCc1cccc(CNCCOCC(F)F)c1
InChIInChI=1S/C13H19F2NO2/c1-17-9-12-4-2-3-11(7-12)8-16-5-6-18-10-13(14)15/h2-4,7,13,16H,5-6,8-10H2,1H3
InChIKeyZMCHYJFJMHHJPE-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.20
Rot. Bonds9

About 2-(2,2-difluoroethoxy)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine

2-(2,2-difluoroethoxy)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine (PubChem CID 103081000) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine
PubChem CID103081000
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name2-(2,2-difluoroethoxy)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine
SMILESCOCc1cccc(CNCCOCC(F)F)c1
InChIInChI=1S/C13H19F2NO2/c1-17-9-12-4-2-3-11(7-12)8-16-5-6-18-10-13(14)15/h2-4,7,13,16H,5-6,8-10H2,1H3
InChIKeyZMCHYJFJMHHJPE-UHFFFAOYSA-N
XLogP2.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.20
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-(2,2-difluoroethoxy)-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 103081182
2-[[3-(methoxymethyl)phenyl]methylamino]ethanol
CID 61004164
2-(2,2-difluoroethoxy)-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 103081062
N-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-methoxyethanamine
CID 66348149
N-benzyl-3-(2,2-difluoroethoxy)propan-1-amine
CID 114782953
N-[[3-(methoxymethyl)phenyl]methyl]-2-methylsulfinylethanamine
CID 115654099
N',N'-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]ethane-1,2-diamine
CID 54896843
3-[[3-(methoxymethyl)phenyl]methylamino]propanamide
CID 60970958
2-(2,2-difluoroethoxy)-N-[(2-methylphenyl)methyl]ethanamine
CID 103081199
[3-[[2-(3-methoxypropoxy)ethylamino]methyl]phenyl]methanol
CID 107230478
2-(2,2-difluoroethoxy)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 103081275
N-[(3,5-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 61003276

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine (CID 103081000) is 2-(2,2-difluoroethoxy)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine is COCc1cccc(CNCCOCC(F)F)c1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine?
The InChIKey is ZMCHYJFJMHHJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-17-9-12-4-2-3-11(7-12)8-16-5-6-18-10-13(14)15/h2-4,7,13,16H,5-6,8-10H2,1H3.
What are the key properties of 2-(2,2-difluoroethoxy)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine?
2-(2,2-difluoroethoxy)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine has a molecular weight of 259.30 g/mol, XLogP of 2.20, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 103081000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).