N-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]propan-1-amine

C13H18F3NO — CID 20684471

IUPACN-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESCCC(NOC(C)C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO/c1-4-12(17-18-9(2)3)10-6-5-7-11(8-10)13(14,15)16/h5-9,12,17H,4H2,1-3H3
InChIKeyJLWCGHASUCZDQI-UHFFFAOYSA-N
MW261.29 g/mol
LogP4.09
Rot. Bonds5

About N-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]propan-1-amine

N-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 20684471) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is N-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID20684471
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC NameN-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESCCC(NOC(C)C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO/c1-4-12(17-18-9(2)3)10-6-5-7-11(8-10)13(14,15)16/h5-9,12,17H,4H2,1-3H3
InChIKeyJLWCGHASUCZDQI-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]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 N-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of N-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]propan-1-amine (CID 20684471) is N-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for N-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for N-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]propan-1-amine is CCC(NOC(C)C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is JLWCGHASUCZDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-4-12(17-18-9(2)3)10-6-5-7-11(8-10)13(14,15)16/h5-9,12,17H,4H2,1-3H3.
What are the key properties of N-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]propan-1-amine?
N-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 20684471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).