N-[[4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine

C16H22FN3 — CID 63072683

IUPACN-[[4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
SMILESCc1ncn(-c2ccc(CNC(C)(C)C)cc2F)c1C
InChIInChI=1S/C16H22FN3/c1-11-12(2)20(10-18-11)15-7-6-13(8-14(15)17)9-19-16(3,4)5/h6-8,10,19H,9H2,1-5H3
InChIKeyULAWEXXOANQISI-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.52
Rot. Bonds3

About N-[[4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine

N-[[4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63072683) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[[4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
PubChem CID63072683
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC NameN-[[4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
SMILESCc1ncn(-c2ccc(CNC(C)(C)C)cc2F)c1C
InChIInChI=1S/C16H22FN3/c1-11-12(2)20(10-18-11)15-7-6-13(8-14(15)17)9-19-16(3,4)5/h6-8,10,19H,9H2,1-5H3
InChIKeyULAWEXXOANQISI-UHFFFAOYSA-N
XLogP3.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-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

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine (CID 63072683) is N-[[4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine is Cc1ncn(-c2ccc(CNC(C)(C)C)cc2F)c1C.
What is the InChIKey of N-[[4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is ULAWEXXOANQISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-11-12(2)20(10-18-11)15-7-6-13(8-14(15)17)9-19-16(3,4)5/h6-8,10,19H,9H2,1-5H3.
What are the key properties of N-[[4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine?
N-[[4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 275.37 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63072683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).