3-methoxy-N-(2,2,2-trifluoroethyl)propan-1-amine

C6H12F3NO — CID 43153293

IUPAC3-methoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCOCCCNCC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-11-4-2-3-10-5-6(7,8)9/h10H,2-5H2,1H3
InChIKeyOMVSEIASJFHJSI-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.17
Rot. Bonds5

About 3-methoxy-N-(2,2,2-trifluoroethyl)propan-1-amine

3-methoxy-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 43153293) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is 3-methoxy-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID43153293
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name3-methoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCOCCCNCC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-11-4-2-3-10-5-6(7,8)9/h10H,2-5H2,1H3
InChIKeyOMVSEIASJFHJSI-UHFFFAOYSA-N
XLogP1.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methoxy-N-(2,2,2-trifluoroethyl)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

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 3-methoxy-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 43153293) is 3-methoxy-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 3-methoxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 3-methoxy-N-(2,2,2-trifluoroethyl)propan-1-amine is COCCCNCC(F)(F)F.
What is the InChIKey of 3-methoxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is OMVSEIASJFHJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-11-4-2-3-10-5-6(7,8)9/h10H,2-5H2,1H3.
What are the key properties of 3-methoxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
3-methoxy-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 171.16 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 43153293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).