N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine

C14H22FN3 — CID 84753620

IUPACN-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(N2CCN(C)CC2)c1
InChIInChI=1S/C14H22FN3/c1-3-16-11-12-4-5-13(15)14(10-12)18-8-6-17(2)7-9-18/h4-5,10,16H,3,6-9,11H2,1-2H3
InChIKeyBCXZUCAPSLHYLZ-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.69
Rot. Bonds4

About N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine

N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine (PubChem CID 84753620) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine
PubChem CID84753620
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC NameN-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(N2CCN(C)CC2)c1
InChIInChI=1S/C14H22FN3/c1-3-16-11-12-4-5-13(15)14(10-12)18-8-6-17(2)7-9-18/h4-5,10,16H,3,6-9,11H2,1-2H3
InChIKeyBCXZUCAPSLHYLZ-UHFFFAOYSA-N
XLogP1.69
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 84753615
N-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 84753474
N-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluorophenyl]methyl]ethanamine
CID 84753459
1-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 84753629
[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 83642807
N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]propan-1-amine
CID 84753782
N-[[3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)phenyl]methyl]propan-1-amine
CID 43281323
3-[[3-(4-ethylpiperazin-1-yl)-4-fluorophenyl]methylamino]propanoic acid
CID 84753447
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
1-[4-[2-fluoro-5-[(3-hydroxypropylamino)methyl]phenyl]piperazin-1-yl]ethanone
CID 84747073
N-[[3-fluoro-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]methyl]ethanamine
CID 62775695
N-[[3-fluoro-4-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 103499514

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine (CID 84753620) is N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine is CCNCc1ccc(F)c(N2CCN(C)CC2)c1.
What is the InChIKey of N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine?
The InChIKey is BCXZUCAPSLHYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-3-16-11-12-4-5-13(15)14(10-12)18-8-6-17(2)7-9-18/h4-5,10,16H,3,6-9,11H2,1-2H3.
What are the key properties of N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine?
N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine has a molecular weight of 251.35 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 84753620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).