[3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine

C13H14F3N3O — CID 165135177

IUPAC[3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine
SMILESCOc1cc(CN)ccc1-c1nc(C(F)(F)F)cn1C
InChIInChI=1S/C13H14F3N3O/c1-19-7-11(13(14,15)16)18-12(19)9-4-3-8(6-17)5-10(9)20-2/h3-5,7H,6,17H2,1-2H3
InChIKeyVREIOPCLCCEJMQ-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.57
Rot. Bonds3

About [3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine

[3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine (PubChem CID 165135177) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is [3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine
PubChem CID165135177
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name[3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine
SMILESCOc1cc(CN)ccc1-c1nc(C(F)(F)F)cn1C
InChIInChI=1S/C13H14F3N3O/c1-19-7-11(13(14,15)16)18-12(19)9-4-3-8(6-17)5-10(9)20-2/h3-5,7H,6,17H2,1-2H3
InChIKeyVREIOPCLCCEJMQ-UHFFFAOYSA-N
XLogP2.57
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine?
The IUPAC name of [3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine (CID 165135177) is [3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine.
What is the SMILES notation for [3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine?
The canonical SMILES for [3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine is COc1cc(CN)ccc1-c1nc(C(F)(F)F)cn1C.
What is the InChIKey of [3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine?
The InChIKey is VREIOPCLCCEJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-19-7-11(13(14,15)16)18-12(19)9-4-3-8(6-17)5-10(9)20-2/h3-5,7H,6,17H2,1-2H3.
What are the key properties of [3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine?
[3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine has a molecular weight of 285.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine is sourced from PubChem (CID 165135177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).