N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine

C17H28FN3 — CID 63060171

IUPACN-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
SMILESCCN1CCN(c2ccc(CNC(C)(C)C)cc2F)CC1
InChIInChI=1S/C17H28FN3/c1-5-20-8-10-21(11-9-20)16-7-6-14(12-15(16)18)13-19-17(2,3)4/h6-7,12,19H,5,8-11,13H2,1-4H3
InChIKeyAKQMPLYNPHVKLJ-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.86
Rot. Bonds4

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

N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63060171) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
PubChem CID63060171
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC NameN-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
SMILESCCN1CCN(c2ccc(CNC(C)(C)C)cc2F)CC1
InChIInChI=1S/C17H28FN3/c1-5-20-8-10-21(11-9-20)16-7-6-14(12-15(16)18)13-19-17(2,3)4/h6-7,12,19H,5,8-11,13H2,1-4H3
InChIKeyAKQMPLYNPHVKLJ-UHFFFAOYSA-N
XLogP2.86
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze N-[[4-(4-ethylpiperazin-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

Related Compounds

N-[[4-(4,4-dimethylpiperidin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63070362
N-[[3-fluoro-4-(1,4-thiazepan-4-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63060084
N-[[3-fluoro-4-(4-methoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63058425
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62419565
4-(4-ethylpiperazin-1-yl)-3-fluorobenzoic acid
CID 28604489
1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-N-methylethanamine
CID 43284384
1-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111761978
N-[[3-fluoro-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]methyl]ethanamine
CID 62775695
2-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]guanidine;hydroiodide
CID 111107704
N-[[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63060904
2-methyl-N-[(3-methyl-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 62120126
N-[[3-(4-ethylpiperazin-1-yl)-4-fluorophenyl]methyl]propan-2-amine
CID 84753440

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine (CID 63060171) is N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine is CCN1CCN(c2ccc(CNC(C)(C)C)cc2F)CC1.
What is the InChIKey of N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is AKQMPLYNPHVKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-5-20-8-10-21(11-9-20)16-7-6-14(12-15(16)18)13-19-17(2,3)4/h6-7,12,19H,5,8-11,13H2,1-4H3.
What are the key properties of N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine?
N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 293.43 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63060171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).