1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-fluorophenyl)methyl]ethanamine

C21H27F2N3 — CID 119122933

IUPAC1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-fluorophenyl)methyl]ethanamine
SMILESCCN1CCN(c2ccc(F)cc2C(C)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C21H27F2N3/c1-3-25-10-12-26(13-11-25)21-9-8-19(23)14-20(21)16(2)24-15-17-4-6-18(22)7-5-17/h4-9,14,16,24H,3,10-13,15H2,1-2H3
InChIKeyURICBPSTMCNDIW-UHFFFAOYSA-N
MW359.46 g/mol
LogP3.96
Rot. Bonds6

About 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-fluorophenyl)methyl]ethanamine

1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-fluorophenyl)methyl]ethanamine (PubChem CID 119122933) has the molecular formula C21H27F2N3 and a molecular weight of 359.46 g/mol. Its IUPAC name is 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-fluorophenyl)methyl]ethanamine
PubChem CID119122933
Molecular FormulaC21H27F2N3
Molecular Weight359.46 g/mol
Exact Mass359.22
IUPAC Name1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-fluorophenyl)methyl]ethanamine
SMILESCCN1CCN(c2ccc(F)cc2C(C)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C21H27F2N3/c1-3-25-10-12-26(13-11-25)21-9-8-19(23)14-20(21)16(2)24-15-17-4-6-18(22)7-5-17/h4-9,14,16,24H,3,10-13,15H2,1-2H3
InChIKeyURICBPSTMCNDIW-UHFFFAOYSA-N
XLogP3.96
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-methyl-1H-pyrazol-5-yl)methyl]ethanamine
CID 126818032
(1S)-1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 96563094
1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine
CID 75471695
1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)ethanamine
CID 126813623
(1S)-1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[[(2S,5R)-5-methyloxolan-2-yl]methyl]ethanamine
CID 100909588
(2R)-2-amino-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]propanamide
CID 119902822
N-ethyl-1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43283921
N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]oxolan-3-amine
CID 75427924
N-[[1-(3-bromophenyl)-3-methylpyrazol-4-yl]methyl]-1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethanamine
CID 167916445
N-[[3-(4-ethylpiperazin-1-yl)-4-fluorophenyl]methyl]propan-2-amine
CID 84753440
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]-N-ethylethanamine
CID 43581580
1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-N-(1H-indol-4-ylmethyl)ethanamine
CID 119122892

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-fluorophenyl)methyl]ethanamine?
The IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-fluorophenyl)methyl]ethanamine (CID 119122933) is 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-fluorophenyl)methyl]ethanamine is CCN1CCN(c2ccc(F)cc2C(C)NCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-fluorophenyl)methyl]ethanamine?
The InChIKey is URICBPSTMCNDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F2N3/c1-3-25-10-12-26(13-11-25)21-9-8-19(23)14-20(21)16(2)24-15-17-4-6-18(22)7-5-17/h4-9,14,16,24H,3,10-13,15H2,1-2H3.
What are the key properties of 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-fluorophenyl)methyl]ethanamine?
1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-fluorophenyl)methyl]ethanamine has a molecular weight of 359.46 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 119122933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).