1-[2-(2,2-difluoroethoxy)-3-ethoxyphenyl]propan-2-amine

C13H19F2NO2 — CID 54939238

IUPAC1-[2-(2,2-difluoroethoxy)-3-ethoxyphenyl]propan-2-amine
SMILESCCOc1cccc(CC(C)N)c1OCC(F)F
InChIInChI=1S/C13H19F2NO2/c1-3-17-11-6-4-5-10(7-9(2)16)13(11)18-8-12(14)15/h4-6,9,12H,3,7-8,16H2,1-2H3
InChIKeyYOANRSMWRIFTKP-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.62
Rot. Bonds7

About 1-[2-(2,2-difluoroethoxy)-3-ethoxyphenyl]propan-2-amine

1-[2-(2,2-difluoroethoxy)-3-ethoxyphenyl]propan-2-amine (PubChem CID 54939238) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-[2-(2,2-difluoroethoxy)-3-ethoxyphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2,2-difluoroethoxy)-3-ethoxyphenyl]propan-2-amine
PubChem CID54939238
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name1-[2-(2,2-difluoroethoxy)-3-ethoxyphenyl]propan-2-amine
SMILESCCOc1cccc(CC(C)N)c1OCC(F)F
InChIInChI=1S/C13H19F2NO2/c1-3-17-11-6-4-5-10(7-9(2)16)13(11)18-8-12(14)15/h4-6,9,12H,3,7-8,16H2,1-2H3
InChIKeyYOANRSMWRIFTKP-UHFFFAOYSA-N
XLogP2.62
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2,2-difluoroethoxy)-3-ethoxyphenyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[2-(2-aminopropyl)-6-ethoxyphenoxy]acetate
CID 60907512
1-[3-ethoxy-2-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 66040201
1-[2-(2,3-dichloroprop-2-enoxy)-3-ethoxyphenyl]propan-2-amine
CID 79173898
1-[3-ethoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-2-amine
CID 103136606
1-(2-cyclopentyloxy-3-ethoxyphenyl)propan-2-amine
CID 54929333
1-[3-ethoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
CID 62385729
1-[3-ethoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 60906821
1-[3-ethoxy-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine
CID 60907055
1-(chloromethyl)-3-ethoxy-2-(2-methylpropoxy)benzene
CID 43366782
2-amino-3-(2,3-diethoxyphenyl)propanoic acid
CID 170879597
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144
[3-ethoxy-2-(2-methylbutoxy)phenyl]methanol
CID 62103842

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-difluoroethoxy)-3-ethoxyphenyl]propan-2-amine?
The IUPAC name of 1-[2-(2,2-difluoroethoxy)-3-ethoxyphenyl]propan-2-amine (CID 54939238) is 1-[2-(2,2-difluoroethoxy)-3-ethoxyphenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(2,2-difluoroethoxy)-3-ethoxyphenyl]propan-2-amine?
The canonical SMILES for 1-[2-(2,2-difluoroethoxy)-3-ethoxyphenyl]propan-2-amine is CCOc1cccc(CC(C)N)c1OCC(F)F.
What is the InChIKey of 1-[2-(2,2-difluoroethoxy)-3-ethoxyphenyl]propan-2-amine?
The InChIKey is YOANRSMWRIFTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-3-17-11-6-4-5-10(7-9(2)16)13(11)18-8-12(14)15/h4-6,9,12H,3,7-8,16H2,1-2H3.
What are the key properties of 1-[2-(2,2-difluoroethoxy)-3-ethoxyphenyl]propan-2-amine?
1-[2-(2,2-difluoroethoxy)-3-ethoxyphenyl]propan-2-amine has a molecular weight of 259.30 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-difluoroethoxy)-3-ethoxyphenyl]propan-2-amine is sourced from PubChem (CID 54939238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).