3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine

C9H18F3NO2 — CID 61490922

IUPAC3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
SMILESCOCCCNCCCOCC(F)(F)F
InChIInChI=1S/C9H18F3NO2/c1-14-6-2-4-13-5-3-7-15-8-9(10,11)12/h13H,2-8H2,1H3
InChIKeyXAZHRQVNPBFRFT-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.58
Rot. Bonds9

About 3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine

3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine (PubChem CID 61490922) has the molecular formula C9H18F3NO2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
PubChem CID61490922
Molecular FormulaC9H18F3NO2
Molecular Weight229.24 g/mol
Exact Mass229.13
IUPAC Name3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
SMILESCOCCCNCCCOCC(F)(F)F
InChIInChI=1S/C9H18F3NO2/c1-14-6-2-4-13-5-3-7-15-8-9(10,11)12/h13H,2-8H2,1H3
InChIKeyXAZHRQVNPBFRFT-UHFFFAOYSA-N
XLogP1.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.58
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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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine (CID 61490922) is 3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine is COCCCNCCCOCC(F)(F)F.
What is the InChIKey of 3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine?
The InChIKey is XAZHRQVNPBFRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO2/c1-14-6-2-4-13-5-3-7-15-8-9(10,11)12/h13H,2-8H2,1H3.
What are the key properties of 3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine?
3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine has a molecular weight of 229.24 g/mol, XLogP of 1.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine is sourced from PubChem (CID 61490922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).