2-methyl-N-[[3-(2,4,5-trifluorophenyl)imidazol-4-yl]methyl]propan-2-amine

C14H16F3N3 — CID 107447022

IUPAC2-methyl-N-[[3-(2,4,5-trifluorophenyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cncn1-c1cc(F)c(F)cc1F
InChIInChI=1S/C14H16F3N3/c1-14(2,3)19-7-9-6-18-8-20(9)13-5-11(16)10(15)4-12(13)17/h4-6,8,19H,7H2,1-3H3
InChIKeyKBQUHIBNZDFQNO-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.18
Rot. Bonds3

About 2-methyl-N-[[3-(2,4,5-trifluorophenyl)imidazol-4-yl]methyl]propan-2-amine

2-methyl-N-[[3-(2,4,5-trifluorophenyl)imidazol-4-yl]methyl]propan-2-amine (PubChem CID 107447022) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-methyl-N-[[3-(2,4,5-trifluorophenyl)imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(2,4,5-trifluorophenyl)imidazol-4-yl]methyl]propan-2-amine
PubChem CID107447022
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name2-methyl-N-[[3-(2,4,5-trifluorophenyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cncn1-c1cc(F)c(F)cc1F
InChIInChI=1S/C14H16F3N3/c1-14(2,3)19-7-9-6-18-8-20(9)13-5-11(16)10(15)4-12(13)17/h4-6,8,19H,7H2,1-3H3
InChIKeyKBQUHIBNZDFQNO-UHFFFAOYSA-N
XLogP3.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-methyl-N-[[3-(2,4,5-trifluorophenyl)imidazol-4-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(2,4-difluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446928
N-[[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446960
2-methyl-N-[[3-(2,3,5-trifluorophenyl)imidazol-4-yl]methyl]propan-2-amine
CID 107447025
N-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446934
N-[[3-(2-chloro-4-iodophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107608528
N-methyl-2-[3-(2,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine
CID 114708258
N-[[3-(4-ethoxy-3-fluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107447060
N-[[3-(3,5-dimethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446904
2-methyl-N-[[3-(4-methylsulfanylphenyl)imidazol-4-yl]methyl]propan-2-amine
CID 107446913
N-[[3-(2-ethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446918
N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66146500
N-[[4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63072683

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(2,4,5-trifluorophenyl)imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-(2,4,5-trifluorophenyl)imidazol-4-yl]methyl]propan-2-amine (CID 107447022) is 2-methyl-N-[[3-(2,4,5-trifluorophenyl)imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-(2,4,5-trifluorophenyl)imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-(2,4,5-trifluorophenyl)imidazol-4-yl]methyl]propan-2-amine is CC(C)(C)NCc1cncn1-c1cc(F)c(F)cc1F.
What is the InChIKey of 2-methyl-N-[[3-(2,4,5-trifluorophenyl)imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is KBQUHIBNZDFQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-14(2,3)19-7-9-6-18-8-20(9)13-5-11(16)10(15)4-12(13)17/h4-6,8,19H,7H2,1-3H3.
What are the key properties of 2-methyl-N-[[3-(2,4,5-trifluorophenyl)imidazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[3-(2,4,5-trifluorophenyl)imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 283.30 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(2,4,5-trifluorophenyl)imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 107447022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).