2-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-amine

C11H14F3NO — CID 117337731

IUPAC2-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-amine
SMILESCOc1ccc(C(C)(C)N)c(C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO/c1-10(2,15)8-5-4-7(16-3)6-9(8)11(12,13)14/h4-6H,15H2,1-3H3
InChIKeyZADJOFASIVULJV-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.91
Rot. Bonds2

About 2-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-amine

2-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 117337731) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID117337731
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name2-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-amine
SMILESCOc1ccc(C(C)(C)N)c(C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO/c1-10(2,15)8-5-4-7(16-3)6-9(8)11(12,13)14/h4-6H,15H2,1-3H3
InChIKeyZADJOFASIVULJV-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of 2-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-amine (CID 117337731) is 2-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for 2-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for 2-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-amine is COc1ccc(C(C)(C)N)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is ZADJOFASIVULJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-10(2,15)8-5-4-7(16-3)6-9(8)11(12,13)14/h4-6H,15H2,1-3H3.
What are the key properties of 2-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-amine?
2-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 233.23 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 117337731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).