N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

C11H14F3NO — CID 29080750

IUPACN-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
SMILESCNCCCOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c1-15-7-2-8-16-10-5-3-9(4-6-10)11(12,13)14/h3-6,15H,2,7-8H2,1H3
InChIKeyHRYAFGPLAPTGQU-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.69
Rot. Bonds5

About N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (PubChem CID 29080750) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
PubChem CID29080750
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC NameN-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
SMILESCNCCCOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c1-15-7-2-8-16-10-5-3-9(4-6-10)11(12,13)14/h3-6,15H,2,7-8H2,1H3
InChIKeyHRYAFGPLAPTGQU-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The IUPAC name of N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (CID 29080750) is N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.
What is the SMILES notation for N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The canonical SMILES for N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is CNCCCOc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The InChIKey is HRYAFGPLAPTGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-15-7-2-8-16-10-5-3-9(4-6-10)11(12,13)14/h3-6,15H,2,7-8H2,1H3.
What are the key properties of N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine has a molecular weight of 233.23 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is sourced from PubChem (CID 29080750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).