3,3,3-trifluoro-N-(1-imidazol-1-ylpropan-2-yl)-1-phenylpropan-1-amine

C15H18F3N3 — CID 43792012

IUPAC3,3,3-trifluoro-N-(1-imidazol-1-ylpropan-2-yl)-1-phenylpropan-1-amine
SMILESCC(Cn1ccnc1)NC(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C15H18F3N3/c1-12(10-21-8-7-19-11-21)20-14(9-15(16,17)18)13-5-3-2-4-6-13/h2-8,11-12,14,20H,9-10H2,1H3
InChIKeyUUYALUGJSXBOSM-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.55
Rot. Bonds6

About 3,3,3-trifluoro-N-(1-imidazol-1-ylpropan-2-yl)-1-phenylpropan-1-amine

3,3,3-trifluoro-N-(1-imidazol-1-ylpropan-2-yl)-1-phenylpropan-1-amine (PubChem CID 43792012) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(1-imidazol-1-ylpropan-2-yl)-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(1-imidazol-1-ylpropan-2-yl)-1-phenylpropan-1-amine
PubChem CID43792012
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name3,3,3-trifluoro-N-(1-imidazol-1-ylpropan-2-yl)-1-phenylpropan-1-amine
SMILESCC(Cn1ccnc1)NC(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C15H18F3N3/c1-12(10-21-8-7-19-11-21)20-14(9-15(16,17)18)13-5-3-2-4-6-13/h2-8,11-12,14,20H,9-10H2,1H3
InChIKeyUUYALUGJSXBOSM-UHFFFAOYSA-N
XLogP3.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-imidazol-1-yl-N-(1-phenylethyl)propan-2-amine
CID 43749763
1-(4-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine
CID 43749780
1-(2-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine
CID 112631437
3,3,3-trifluoro-1-phenyl-N-(1-phenylethyl)propan-1-amine
CID 43755979
(1R)-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propan-1-amine
CID 93276656
1-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-2-amine
CID 43791961
1-imidazol-1-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine
CID 43749714
N-[1-(4-tert-butylphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine
CID 43749787
4-[1-(1-imidazol-1-ylpropan-2-ylamino)ethyl]phenol
CID 43749727
N-[[2-(1,1-difluoroethyl)phenyl]methyl]-1-imidazol-1-ylpropan-2-amine
CID 166268986
4-(1-imidazol-1-ylpropan-2-ylamino)benzoic acid
CID 62230868
2-imidazol-1-yl-1-phenylethanamine
CID 5195236

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(1-imidazol-1-ylpropan-2-yl)-1-phenylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-(1-imidazol-1-ylpropan-2-yl)-1-phenylpropan-1-amine (CID 43792012) is 3,3,3-trifluoro-N-(1-imidazol-1-ylpropan-2-yl)-1-phenylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-(1-imidazol-1-ylpropan-2-yl)-1-phenylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-(1-imidazol-1-ylpropan-2-yl)-1-phenylpropan-1-amine is CC(Cn1ccnc1)NC(CC(F)(F)F)c1ccccc1.
What is the InChIKey of 3,3,3-trifluoro-N-(1-imidazol-1-ylpropan-2-yl)-1-phenylpropan-1-amine?
The InChIKey is UUYALUGJSXBOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-12(10-21-8-7-19-11-21)20-14(9-15(16,17)18)13-5-3-2-4-6-13/h2-8,11-12,14,20H,9-10H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-(1-imidazol-1-ylpropan-2-yl)-1-phenylpropan-1-amine?
3,3,3-trifluoro-N-(1-imidazol-1-ylpropan-2-yl)-1-phenylpropan-1-amine has a molecular weight of 297.32 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(1-imidazol-1-ylpropan-2-yl)-1-phenylpropan-1-amine is sourced from PubChem (CID 43792012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).