[2-[(4-tert-butylphenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine

C18H21F3N2O — CID 58873264

IUPAC[2-[(4-tert-butylphenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCC(C)(C)c1ccc(COc2nc(C(F)(F)F)ccc2CN)cc1
InChIInChI=1S/C18H21F3N2O/c1-17(2,3)14-7-4-12(5-8-14)11-24-16-13(10-22)6-9-15(23-16)18(19,20)21/h4-9H,10-11,22H2,1-3H3
InChIKeyHBHZKUDYEQVEHR-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.44
Rot. Bonds4

About [2-[(4-tert-butylphenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine

[2-[(4-tert-butylphenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 58873264) has the molecular formula C18H21F3N2O and a molecular weight of 338.37 g/mol. Its IUPAC name is [2-[(4-tert-butylphenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[(4-tert-butylphenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID58873264
Molecular FormulaC18H21F3N2O
Molecular Weight338.37 g/mol
Exact Mass338.16
IUPAC Name[2-[(4-tert-butylphenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCC(C)(C)c1ccc(COc2nc(C(F)(F)F)ccc2CN)cc1
InChIInChI=1S/C18H21F3N2O/c1-17(2,3)14-7-4-12(5-8-14)11-24-16-13(10-22)6-9-15(23-16)18(19,20)21/h4-9H,10-11,22H2,1-3H3
InChIKeyHBHZKUDYEQVEHR-UHFFFAOYSA-N
XLogP4.44
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-tert-butylphenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [2-[(4-tert-butylphenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine (CID 58873264) is [2-[(4-tert-butylphenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-[(4-tert-butylphenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-[(4-tert-butylphenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine is CC(C)(C)c1ccc(COc2nc(C(F)(F)F)ccc2CN)cc1.
What is the InChIKey of [2-[(4-tert-butylphenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is HBHZKUDYEQVEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O/c1-17(2,3)14-7-4-12(5-8-14)11-24-16-13(10-22)6-9-15(23-16)18(19,20)21/h4-9H,10-11,22H2,1-3H3.
What are the key properties of [2-[(4-tert-butylphenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine?
[2-[(4-tert-butylphenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 338.37 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-tert-butylphenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 58873264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).