[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methanamine

C12H18FN3 — CID 43313684

IUPAC[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methanamine
SMILESCN1CCN(c2ccc(F)cc2CN)CC1
InChIInChI=1S/C12H18FN3/c1-15-4-6-16(7-5-15)12-3-2-11(13)8-10(12)9-14/h2-3,8H,4-7,9,14H2,1H3
InChIKeyAOMZOFLJBIZANN-UHFFFAOYSA-N
MW223.29 g/mol
LogP1.04
Rot. Bonds2

About [5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methanamine

[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methanamine (PubChem CID 43313684) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is [5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methanamine
PubChem CID43313684
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methanamine
SMILESCN1CCN(c2ccc(F)cc2CN)CC1
InChIInChI=1S/C12H18FN3/c1-15-4-6-16(7-5-15)12-3-2-11(13)8-10(12)9-14/h2-3,8H,4-7,9,14H2,1H3
InChIKeyAOMZOFLJBIZANN-UHFFFAOYSA-N
XLogP1.04
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methanamine 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

[2-(4-methylpiperazin-1-yl)-5-propan-2-ylphenyl]methanamine
CID 177267332
[2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanamine
CID 55049952
[2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine
CID 61216671
[5-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methanamine
CID 63008035
[4-methyl-2-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 62308620
[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 83642807
2-[2-(4,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 63784618
[2-(2,3-dihydroindol-1-yl)-5-fluorophenyl]methanamine
CID 43313804
[5-fluoro-2-(4-propylpiperazin-1-yl)phenyl]methanol
CID 43313182
1-[2-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]phenyl]cyclobutan-1-ol
CID 91534062
[5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63170949
N-[[5-fluoro-2-(4-methyl-1,4-diazepan-1-yl)phenyl]methyl]prop-2-enamide
CID 166406275

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methanamine?
The IUPAC name of [5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methanamine (CID 43313684) is [5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methanamine is CN1CCN(c2ccc(F)cc2CN)CC1.
What is the InChIKey of [5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methanamine?
The InChIKey is AOMZOFLJBIZANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-15-4-6-16(7-5-15)12-3-2-11(13)8-10(12)9-14/h2-3,8H,4-7,9,14H2,1H3.
What are the key properties of [5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methanamine?
[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methanamine has a molecular weight of 223.29 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methanamine is sourced from PubChem (CID 43313684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).