3-(2,2-difluoroethoxy)-N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine

C15H29F2NO2 — CID 103149468

IUPAC3-(2,2-difluoroethoxy)-N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
SMILESCCNC(CCOCC(F)F)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C15H29F2NO2/c1-6-18-12(7-8-19-10-13(16)17)11-9-14(2,3)20-15(11,4)5/h11-13,18H,6-10H2,1-5H3
InChIKeyPJWONBNPIVGJDN-UHFFFAOYSA-N
MW293.40 g/mol
LogP3.23
Rot. Bonds8

About 3-(2,2-difluoroethoxy)-N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine

3-(2,2-difluoroethoxy)-N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine (PubChem CID 103149468) has the molecular formula C15H29F2NO2 and a molecular weight of 293.40 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
PubChem CID103149468
Molecular FormulaC15H29F2NO2
Molecular Weight293.40 g/mol
Exact Mass293.22
IUPAC Name3-(2,2-difluoroethoxy)-N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
SMILESCCNC(CCOCC(F)F)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C15H29F2NO2/c1-6-18-12(7-8-19-10-13(16)17)11-9-14(2,3)20-15(11,4)5/h11-13,18H,6-10H2,1-5H3
InChIKeyPJWONBNPIVGJDN-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2,2-difluoroethoxy)-N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-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

1-(2,2,5,5-Tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147952
N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148226
N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148249
N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148477
N-ethyl-1-(oxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148578
N-ethyl-6-methoxy-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148664
6-methoxy-6-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148796
3-(2,2-Difluoroethoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
CID 103148800
3-(2,2-difluoroethoxy)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
CID 103149133
3-(2,2-difluoroethoxy)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 103149165
3-(2,2-difluoroethoxy)-N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 103149500
3-(2,2-difluoroethoxy)-N-ethyl-1-(oxolan-3-yl)propan-1-amine
CID 103149655

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine (CID 103149468) is 3-(2,2-difluoroethoxy)-N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine is CCNC(CCOCC(F)F)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine?
The InChIKey is PJWONBNPIVGJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F2NO2/c1-6-18-12(7-8-19-10-13(16)17)11-9-14(2,3)20-15(11,4)5/h11-13,18H,6-10H2,1-5H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine?
3-(2,2-difluoroethoxy)-N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine has a molecular weight of 293.40 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine is sourced from PubChem (CID 103149468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).