1-[2-(difluoromethoxy)phenyl]-2-ethoxy-N-ethylethanamine

C13H19F2NO2 — CID 105008215

IUPAC1-[2-(difluoromethoxy)phenyl]-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)c1ccccc1OC(F)F
InChIInChI=1S/C13H19F2NO2/c1-3-16-11(9-17-4-2)10-7-5-6-8-12(10)18-13(14)15/h5-8,11,13,16H,3-4,9H2,1-2H3
InChIKeyWLMLFZXTXQTAMQ-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.98
Rot. Bonds8

About 1-[2-(difluoromethoxy)phenyl]-2-ethoxy-N-ethylethanamine

1-[2-(difluoromethoxy)phenyl]-2-ethoxy-N-ethylethanamine (PubChem CID 105008215) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-2-ethoxy-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-2-ethoxy-N-ethylethanamine
PubChem CID105008215
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name1-[2-(difluoromethoxy)phenyl]-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)c1ccccc1OC(F)F
InChIInChI=1S/C13H19F2NO2/c1-3-16-11(9-17-4-2)10-7-5-6-8-12(10)18-13(14)15/h5-8,11,13,16H,3-4,9H2,1-2H3
InChIKeyWLMLFZXTXQTAMQ-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine
CID 62066384
1-[2-(difluoromethoxy)phenyl]-N-ethylhexan-1-amine
CID 115837696
1-(2-ethoxyphenyl)-2-(1-ethoxypropan-2-yloxy)-N-ethylethanamine
CID 103487528
3-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)propan-1-amine
CID 105171033
1-[2-(difluoromethoxy)phenyl]-N-ethyl-2-thiophen-3-ylethanamine
CID 61078567
N-ethyl-2-propoxy-1-(2-propoxyphenyl)ethanamine
CID 104660013
1-(2-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine
CID 105008231
1-ethoxy-3-[2-[1-(ethylamino)propyl]phenoxy]propan-2-ol
CID 63934370
1-[2-(difluoromethoxy)phenyl]-N-propylhexan-1-amine
CID 115837596
N-[(4-chlorophenyl)-[2-(difluoromethoxy)phenyl]methyl]ethanamine
CID 43488937
2-ethoxy-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790093
N-[1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]propan-1-amine
CID 80604477

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-2-ethoxy-N-ethylethanamine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-2-ethoxy-N-ethylethanamine (CID 105008215) is 1-[2-(difluoromethoxy)phenyl]-2-ethoxy-N-ethylethanamine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-2-ethoxy-N-ethylethanamine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-2-ethoxy-N-ethylethanamine is CCNC(COCC)c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-2-ethoxy-N-ethylethanamine?
The InChIKey is WLMLFZXTXQTAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-3-16-11(9-17-4-2)10-7-5-6-8-12(10)18-13(14)15/h5-8,11,13,16H,3-4,9H2,1-2H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-2-ethoxy-N-ethylethanamine?
1-[2-(difluoromethoxy)phenyl]-2-ethoxy-N-ethylethanamine has a molecular weight of 259.30 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-2-ethoxy-N-ethylethanamine is sourced from PubChem (CID 105008215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).