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

C13H14F3N3O — CID 170093494

IUPAC[2-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine
SMILESCOc1cc(-c2nc(C(F)(F)F)cn2C)ccc1CN
InChIInChI=1S/C13H14F3N3O/c1-19-7-11(13(14,15)16)18-12(19)8-3-4-9(6-17)10(5-8)20-2/h3-5,7H,6,17H2,1-2H3
InChIKeyPBPUMWNHKQJNJK-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.57
Rot. Bonds3

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

[2-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine (PubChem CID 170093494) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is [2-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine
PubChem CID170093494
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name[2-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine
SMILESCOc1cc(-c2nc(C(F)(F)F)cn2C)ccc1CN
InChIInChI=1S/C13H14F3N3O/c1-19-7-11(13(14,15)16)18-12(19)8-3-4-9(6-17)10(5-8)20-2/h3-5,7H,6,17H2,1-2H3
InChIKeyPBPUMWNHKQJNJK-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 [2-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine?
The IUPAC name of [2-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine (CID 170093494) is [2-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine.
What is the SMILES notation for [2-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine?
The canonical SMILES for [2-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine is COc1cc(-c2nc(C(F)(F)F)cn2C)ccc1CN.
What is the InChIKey of [2-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine?
The InChIKey is PBPUMWNHKQJNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-19-7-11(13(14,15)16)18-12(19)8-3-4-9(6-17)10(5-8)20-2/h3-5,7H,6,17H2,1-2H3.
What are the key properties of [2-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine?
[2-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 [2-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine is sourced from PubChem (CID 170093494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).