N-[(2-methylpropan-2-yl)oxy]-1-[4-(trifluoromethyl)phenyl]methanamine

C12H16F3NO — CID 82720074

IUPACN-[(2-methylpropan-2-yl)oxy]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCC(C)(C)ONCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO/c1-11(2,3)17-16-8-9-4-6-10(7-5-9)12(13,14)15/h4-7,16H,8H2,1-3H3
InChIKeyAXABWZOIJUFYSP-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.53
Rot. Bonds3

About N-[(2-methylpropan-2-yl)oxy]-1-[4-(trifluoromethyl)phenyl]methanamine

N-[(2-methylpropan-2-yl)oxy]-1-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 82720074) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-1-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-1-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID82720074
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCC(C)(C)ONCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO/c1-11(2,3)17-16-8-9-4-6-10(7-5-9)12(13,14)15/h4-7,16H,8H2,1-3H3
InChIKeyAXABWZOIJUFYSP-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-1-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-1-[4-(trifluoromethyl)phenyl]methanamine (CID 82720074) is N-[(2-methylpropan-2-yl)oxy]-1-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-1-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-1-[4-(trifluoromethyl)phenyl]methanamine is CC(C)(C)ONCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-1-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is AXABWZOIJUFYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-11(2,3)17-16-8-9-4-6-10(7-5-9)12(13,14)15/h4-7,16H,8H2,1-3H3.
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-1-[4-(trifluoromethyl)phenyl]methanamine?
N-[(2-methylpropan-2-yl)oxy]-1-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 247.26 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-1-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 82720074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).