2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]propan-1-amine

C14H16F3N3O — CID 102969409

IUPAC2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]propan-1-amine
SMILESCC(C)C(N)c1cncn1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3O/c1-9(2)13(18)12-7-19-8-20(12)10-3-5-11(6-4-10)21-14(15,16)17/h3-9,13H,18H2,1-2H3
InChIKeyDZRQZZDQTGAPQM-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.43
Rot. Bonds4

About 2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]propan-1-amine

2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]propan-1-amine (PubChem CID 102969409) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]propan-1-amine
PubChem CID102969409
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]propan-1-amine
SMILESCC(C)C(N)c1cncn1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3O/c1-9(2)13(18)12-7-19-8-20(12)10-3-5-11(6-4-10)21-14(15,16)17/h3-9,13H,18H2,1-2H3
InChIKeyDZRQZZDQTGAPQM-UHFFFAOYSA-N
XLogP3.43
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[5-(1-amino-2-methylpropyl)imidazol-1-yl]phenyl]ethanol
CID 102969561
1-[3-(4-methoxyphenyl)imidazol-4-yl]ethanamine
CID 114702632
1-[3-(3,5-difluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969456
2-methyl-1-[3-(1-propan-2-ylpyrazol-4-yl)imidazol-4-yl]propan-1-amine
CID 102969698
2-[4-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine
CID 96687258
1-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]imidazole
CID 165482366
2-methyl-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine
CID 106212111
2-methylpropanoic acid;1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole
CID 161225794
1-[3-(4-bromo-2-fluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969435
1-methyl-5-[4-(trifluoromethoxy)phenyl]imidazole
CID 134354899
1-[3-(4-tert-butylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114702764
(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 86346348

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]propan-1-amine?
The IUPAC name of 2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]propan-1-amine (CID 102969409) is 2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]propan-1-amine?
The canonical SMILES for 2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]propan-1-amine is CC(C)C(N)c1cncn1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]propan-1-amine?
The InChIKey is DZRQZZDQTGAPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-9(2)13(18)12-7-19-8-20(12)10-3-5-11(6-4-10)21-14(15,16)17/h3-9,13H,18H2,1-2H3.
What are the key properties of 2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]propan-1-amine?
2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]propan-1-amine has a molecular weight of 299.30 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 102969409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).