N-[2-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine

C15H18F3N3 — CID 60854007

IUPACN-[2-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ncc(-c2ccccc2C(F)(F)F)[nH]1
InChIInChI=1S/C15H18F3N3/c1-10(2)19-8-7-14-20-9-13(21-14)11-5-3-4-6-12(11)15(16,17)18/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,21)
InChIKeyDABMMFAGSFGJSL-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.64
Rot. Bonds5

About N-[2-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine

N-[2-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine (PubChem CID 60854007) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[2-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine
PubChem CID60854007
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC NameN-[2-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ncc(-c2ccccc2C(F)(F)F)[nH]1
InChIInChI=1S/C15H18F3N3/c1-10(2)19-8-7-14-20-9-13(21-14)11-5-3-4-6-12(11)15(16,17)18/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,21)
InChIKeyDABMMFAGSFGJSL-UHFFFAOYSA-N
XLogP3.64
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine
CID 63925969
N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]propan-2-amine
CID 60852746
N-[2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60854362
N-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60852379
N-[2-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 63990888
N-[2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60852192
N-[2-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60852920
3-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60851712
N-[2-[5-(4-nitrophenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60853279
N-[2-(5-propyl-1H-imidazol-2-yl)ethyl]propan-2-amine
CID 114998586
3-methyl-N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 81022627
2-[2-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid
CID 90457135

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine (CID 60854007) is N-[2-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine is CC(C)NCCc1ncc(-c2ccccc2C(F)(F)F)[nH]1.
What is the InChIKey of N-[2-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine?
The InChIKey is DABMMFAGSFGJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-10(2)19-8-7-14-20-9-13(21-14)11-5-3-4-6-12(11)15(16,17)18/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,21).
What are the key properties of N-[2-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine?
N-[2-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine has a molecular weight of 297.32 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 60854007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).