2-methyl-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine

C11H16F3N3 — CID 106212111

IUPAC2-methyl-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine
SMILESCC(C)C(N)c1cncn1C1(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3N3/c1-7(2)9(15)8-5-16-6-17(8)10(3-4-10)11(12,13)14/h5-7,9H,3-4,15H2,1-2H3
InChIKeyOZSNIJGSYMTDDK-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.59
Rot. Bonds3

About 2-methyl-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine

2-methyl-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine (PubChem CID 106212111) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-methyl-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine
PubChem CID106212111
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name2-methyl-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine
SMILESCC(C)C(N)c1cncn1C1(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3N3/c1-7(2)9(15)8-5-16-6-17(8)10(3-4-10)11(12,13)14/h5-7,9H,3-4,15H2,1-2H3
InChIKeyOZSNIJGSYMTDDK-UHFFFAOYSA-N
XLogP2.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanamine
CID 106212137
3-methyl-2-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]butan-1-amine
CID 106212093
(1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine
CID 106212099
[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]methanol
CID 106216994
3-[1-(trifluoromethyl)cyclopropyl]imidazole-4-carbaldehyde
CID 106216993
2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]propan-1-amine
CID 102969409
1-[3-(3,5-difluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969456
1-[3-(2,5-difluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 103587988
2-methyl-1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]propan-1-amine
CID 114174001
2-methyl-1-[3-(4-methylcyclohexyl)imidazol-4-yl]propan-1-amine
CID 102969473
1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine
CID 102969585
1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]-2-methylpropan-1-amine
CID 102969902

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine?
The IUPAC name of 2-methyl-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine (CID 106212111) is 2-methyl-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine?
The canonical SMILES for 2-methyl-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine is CC(C)C(N)c1cncn1C1(C(F)(F)F)CC1.
What is the InChIKey of 2-methyl-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine?
The InChIKey is OZSNIJGSYMTDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-7(2)9(15)8-5-16-6-17(8)10(3-4-10)11(12,13)14/h5-7,9H,3-4,15H2,1-2H3.
What are the key properties of 2-methyl-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine?
2-methyl-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine has a molecular weight of 247.26 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 106212111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).