N-[[2-methoxy-6-(trifluoromethyl)phenyl]diazenyl]-N-propan-2-ylpropan-2-amine

C14H20F3N3O — CID 134838575

IUPACN-[[2-methoxy-6-(trifluoromethyl)phenyl]diazenyl]-N-propan-2-ylpropan-2-amine
SMILESCOc1cccc(C(F)(F)F)c1/N=N/N(C(C)C)C(C)C
InChIInChI=1S/C14H20F3N3O/c1-9(2)20(10(3)4)19-18-13-11(14(15,16)17)7-6-8-12(13)21-5/h6-10H,1-5H3/b19-18+
InChIKeyYLKSRHZWYVDTBU-VHEBQXMUSA-N
MW303.33 g/mol
LogP4.83
Rot. Bonds5

About N-[[2-methoxy-6-(trifluoromethyl)phenyl]diazenyl]-N-propan-2-ylpropan-2-amine

N-[[2-methoxy-6-(trifluoromethyl)phenyl]diazenyl]-N-propan-2-ylpropan-2-amine (PubChem CID 134838575) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is N-[[2-methoxy-6-(trifluoromethyl)phenyl]diazenyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-methoxy-6-(trifluoromethyl)phenyl]diazenyl]-N-propan-2-ylpropan-2-amine
PubChem CID134838575
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC NameN-[[2-methoxy-6-(trifluoromethyl)phenyl]diazenyl]-N-propan-2-ylpropan-2-amine
SMILESCOc1cccc(C(F)(F)F)c1/N=N/N(C(C)C)C(C)C
InChIInChI=1S/C14H20F3N3O/c1-9(2)20(10(3)4)19-18-13-11(14(15,16)17)7-6-8-12(13)21-5/h6-10H,1-5H3/b19-18+
InChIKeyYLKSRHZWYVDTBU-VHEBQXMUSA-N
XLogP4.83
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[2-methoxy-6-(trifluoromethyl)phenyl]diazenyl]-N-propan-2-ylpropan-2-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-[[2-methoxy-6-(trifluoromethyl)phenyl]diazenyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[[2-methoxy-6-(trifluoromethyl)phenyl]diazenyl]-N-propan-2-ylpropan-2-amine (CID 134838575) is N-[[2-methoxy-6-(trifluoromethyl)phenyl]diazenyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[[2-methoxy-6-(trifluoromethyl)phenyl]diazenyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[[2-methoxy-6-(trifluoromethyl)phenyl]diazenyl]-N-propan-2-ylpropan-2-amine is COc1cccc(C(F)(F)F)c1/N=N/N(C(C)C)C(C)C.
What is the InChIKey of N-[[2-methoxy-6-(trifluoromethyl)phenyl]diazenyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is YLKSRHZWYVDTBU-VHEBQXMUSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-9(2)20(10(3)4)19-18-13-11(14(15,16)17)7-6-8-12(13)21-5/h6-10H,1-5H3/b19-18+.
What are the key properties of N-[[2-methoxy-6-(trifluoromethyl)phenyl]diazenyl]-N-propan-2-ylpropan-2-amine?
N-[[2-methoxy-6-(trifluoromethyl)phenyl]diazenyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 303.33 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methoxy-6-(trifluoromethyl)phenyl]diazenyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 134838575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).