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

C14H27F2NO2 — CID 103149133

IUPAC3-(2,2-difluoroethoxy)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
SMILESCNC(CCOCC(F)F)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H27F2NO2/c1-13(2)8-10(14(3,4)19-13)11(17-5)6-7-18-9-12(15)16/h10-12,17H,6-9H2,1-5H3
InChIKeySEAUYTSRDAFJBY-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.84
Rot. Bonds7

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

3-(2,2-difluoroethoxy)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine (PubChem CID 103149133) has the molecular formula C14H27F2NO2 and a molecular weight of 279.37 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
PubChem CID103149133
Molecular FormulaC14H27F2NO2
Molecular Weight279.37 g/mol
Exact Mass279.20
IUPAC Name3-(2,2-difluoroethoxy)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
SMILESCNC(CCOCC(F)F)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H27F2NO2/c1-13(2)8-10(14(3,4)19-13)11(17-5)6-7-18-9-12(15)16/h10-12,17H,6-9H2,1-5H3
InChIKeySEAUYTSRDAFJBY-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.84
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-methyl-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-methyl-1-(oxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148361
6-methoxy-N,6-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148474
N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148477
3-(2,2-Difluoroethoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
CID 103148800
3-(2,2-difluoroethoxy)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 103149165
3-(2,2-difluoroethoxy)-N-methyl-1-(oxolan-3-yl)propan-1-amine
CID 103149317
1-(2,2-difluoroethoxy)-6-methoxy-N,6-dimethylheptan-3-amine
CID 103149459
3-(2,2-difluoroethoxy)-N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
CID 103149468
3-(2,2-difluoroethoxy)-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
CID 103149793

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine (CID 103149133) is 3-(2,2-difluoroethoxy)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine is CNC(CCOCC(F)F)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine?
The InChIKey is SEAUYTSRDAFJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F2NO2/c1-13(2)8-10(14(3,4)19-13)11(17-5)6-7-18-9-12(15)16/h10-12,17H,6-9H2,1-5H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine?
3-(2,2-difluoroethoxy)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine has a molecular weight of 279.37 g/mol, XLogP of 2.84, 7 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-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine is sourced from PubChem (CID 103149133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).