(1R)-1-[5-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine

C15H24FN3 — CID 104937427

IUPAC(1R)-1-[5-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine
SMILESCC1CN(c2ccc(F)cc2[C@@H](C)N)CC(C)N1C
InChIInChI=1S/C15H24FN3/c1-10-8-19(9-11(2)18(10)4)15-6-5-13(16)7-14(15)12(3)17/h5-7,10-12H,8-9,17H2,1-4H3/t10?,11?,12-/m1/s1
InChIKeyJPTXQUGAOAPDCU-HTAVTVPLSA-N
MW265.38 g/mol
LogP2.37
Rot. Bonds2

About (1R)-1-[5-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine

(1R)-1-[5-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine (PubChem CID 104937427) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is (1R)-1-[5-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine
PubChem CID104937427
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name(1R)-1-[5-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine
SMILESCC1CN(c2ccc(F)cc2[C@@H](C)N)CC(C)N1C
InChIInChI=1S/C15H24FN3/c1-10-8-19(9-11(2)18(10)4)15-6-5-13(16)7-14(15)12(3)17/h5-7,10-12H,8-9,17H2,1-4H3/t10?,11?,12-/m1/s1
InChIKeyJPTXQUGAOAPDCU-HTAVTVPLSA-N
XLogP2.37
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-aminoethyl)-4-fluorophenyl]pyrrolidine-3,4-diol
CID 106669964
(1R)-1-[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]ethanamine
CID 55215612
1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464769
1-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine
CID 114538247
1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43188715
1-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-4-methylpiperidin-3-ol
CID 102958910
(1S)-1-[5-fluoro-2-(2-methylthiomorpholin-4-yl)phenyl]ethanamine
CID 104871226
1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N-dimethylpyrrolidin-3-amine
CID 63163789
5-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)benzenecarbothioamide
CID 114536995
(1S)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine
CID 78935771
2-[4-[2-(1-aminoethyl)-4-fluorophenyl]piperazin-1-yl]ethanol
CID 43592142
(1R)-1-[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine
CID 63368739

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[5-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine (CID 104937427) is (1R)-1-[5-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[5-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine is CC1CN(c2ccc(F)cc2[C@@H](C)N)CC(C)N1C.
What is the InChIKey of (1R)-1-[5-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine?
The InChIKey is JPTXQUGAOAPDCU-HTAVTVPLSA-N. The full InChI is InChI=1S/C15H24FN3/c1-10-8-19(9-11(2)18(10)4)15-6-5-13(16)7-14(15)12(3)17/h5-7,10-12H,8-9,17H2,1-4H3/t10?,11?,12-/m1/s1.
What are the key properties of (1R)-1-[5-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine?
(1R)-1-[5-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine has a molecular weight of 265.38 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 104937427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).