1-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine

C15H16F3N3 — CID 84593917

IUPAC1-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1cccc(C(NCc2ncc[nH]2)C2CC2)c1
InChIInChI=1S/C15H16F3N3/c16-15(17,18)12-3-1-2-11(8-12)14(10-4-5-10)21-9-13-19-6-7-20-13/h1-3,6-8,10,14,21H,4-5,9H2,(H,19,20)
InChIKeyXNYHUGVTTHBFLD-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.67
Rot. Bonds5

About 1-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine

1-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 84593917) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 1-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID84593917
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name1-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1cccc(C(NCc2ncc[nH]2)C2CC2)c1
InChIInChI=1S/C15H16F3N3/c16-15(17,18)12-3-1-2-11(8-12)14(10-4-5-10)21-9-13-19-6-7-20-13/h1-3,6-8,10,14,21H,4-5,9H2,(H,19,20)
InChIKeyXNYHUGVTTHBFLD-UHFFFAOYSA-N
XLogP3.67
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1H-imidazol-2-ylmethyl)methanamine
CID 119111760
[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105193820
N-[(3-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 65412962
1-(1H-imidazol-2-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine
CID 119126089
CID 88515139
CID 88515139
2-[[(R)-oxan-4-yl-[3-(trifluoromethyl)phenyl]methyl]amino]acetonitrile
CID 124881063
[cyclobutyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105193958
1-cycloheptyl-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 65399168
(1R)-1-(3-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 81368803
N-[3-bicyclo[3.1.0]hexanyl-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115850632
N-[(R)-cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 154756138
1-[3-[[(S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]amino]propyl]pyrrolidin-2-one
CID 97109948

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine (CID 84593917) is 1-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine is FC(F)(F)c1cccc(C(NCc2ncc[nH]2)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is XNYHUGVTTHBFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c16-15(17,18)12-3-1-2-11(8-12)14(10-4-5-10)21-9-13-19-6-7-20-13/h1-3,6-8,10,14,21H,4-5,9H2,(H,19,20).
What are the key properties of 1-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine?
1-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 295.31 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 84593917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).