4,4,4-trifluoro-N-[(2-imidazol-1-ylphenyl)methyl]butan-2-amine

C14H16F3N3 — CID 50972397

IUPAC4,4,4-trifluoro-N-[(2-imidazol-1-ylphenyl)methyl]butan-2-amine
SMILESCC(CC(F)(F)F)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C14H16F3N3/c1-11(8-14(15,16)17)19-9-12-4-2-3-5-13(12)20-7-6-18-10-20/h2-7,10-11,19H,8-9H2,1H3
InChIKeyPMUNYRHRNBQYEK-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.30
Rot. Bonds5

About 4,4,4-trifluoro-N-[(2-imidazol-1-ylphenyl)methyl]butan-2-amine

4,4,4-trifluoro-N-[(2-imidazol-1-ylphenyl)methyl]butan-2-amine (PubChem CID 50972397) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(2-imidazol-1-ylphenyl)methyl]butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(2-imidazol-1-ylphenyl)methyl]butan-2-amine
PubChem CID50972397
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name4,4,4-trifluoro-N-[(2-imidazol-1-ylphenyl)methyl]butan-2-amine
SMILESCC(CC(F)(F)F)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C14H16F3N3/c1-11(8-14(15,16)17)19-9-12-4-2-3-5-13(12)20-7-6-18-10-20/h2-7,10-11,19H,8-9H2,1H3
InChIKeyPMUNYRHRNBQYEK-UHFFFAOYSA-N
XLogP3.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(2-imidazol-1-ylphenyl)methyl]butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-N-[(2-imidazol-1-ylphenyl)methyl]butan-2-amine (CID 50972397) is 4,4,4-trifluoro-N-[(2-imidazol-1-ylphenyl)methyl]butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-[(2-imidazol-1-ylphenyl)methyl]butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-N-[(2-imidazol-1-ylphenyl)methyl]butan-2-amine is CC(CC(F)(F)F)NCc1ccccc1-n1ccnc1.
What is the InChIKey of 4,4,4-trifluoro-N-[(2-imidazol-1-ylphenyl)methyl]butan-2-amine?
The InChIKey is PMUNYRHRNBQYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-11(8-14(15,16)17)19-9-12-4-2-3-5-13(12)20-7-6-18-10-20/h2-7,10-11,19H,8-9H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-[(2-imidazol-1-ylphenyl)methyl]butan-2-amine?
4,4,4-trifluoro-N-[(2-imidazol-1-ylphenyl)methyl]butan-2-amine has a molecular weight of 283.30 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(2-imidazol-1-ylphenyl)methyl]butan-2-amine is sourced from PubChem (CID 50972397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).