1-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine

C14H21F2N3 — CID 16785018

IUPAC1-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
SMILESCCN1CCN(CC(N)c2ccc(F)cc2F)CC1
InChIInChI=1S/C14H21F2N3/c1-2-18-5-7-19(8-6-18)10-14(17)12-4-3-11(15)9-13(12)16/h3-4,9,14H,2,5-8,10,17H2,1H3
InChIKeyYUWWBLKJGSCVHW-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.60
Rot. Bonds4

About 1-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine

1-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine (PubChem CID 16785018) has the molecular formula C14H21F2N3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
PubChem CID16785018
Molecular FormulaC14H21F2N3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
SMILESCCN1CCN(CC(N)c2ccc(F)cc2F)CC1
InChIInChI=1S/C14H21F2N3/c1-2-18-5-7-19(8-6-18)10-14(17)12-4-3-11(15)9-13(12)16/h3-4,9,14H,2,5-8,10,17H2,1H3
InChIKeyYUWWBLKJGSCVHW-UHFFFAOYSA-N
XLogP1.60
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2,4-difluorophenyl)ethanamine
CID 107520191
1-(2,4-difluorophenyl)-2-(4-ethylazepan-1-yl)ethanamine
CID 107521390
1-(2,4-difluorophenyl)-2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanamine
CID 107520324
2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 16791134
1-(2,5-difluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 107520830
2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)acetonitrile
CID 84746336
1-(2,4-difluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 107520774
1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione
CID 107522881
(2R)-2-amino-2-(2,4-difluorophenyl)ethanol;hydrochloride
CID 67034313
(1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine
CID 28780270
1-[2-amino-2-(2,4-difluorophenyl)ethyl]-5-methylazepan-2-one
CID 107522728
2-(3,3-diethylpyrrolidin-1-yl)-1-(2,5-difluorophenyl)ethanamine
CID 107521756

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine (CID 16785018) is 1-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine is CCN1CCN(CC(N)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine?
The InChIKey is YUWWBLKJGSCVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3/c1-2-18-5-7-19(8-6-18)10-14(17)12-4-3-11(15)9-13(12)16/h3-4,9,14H,2,5-8,10,17H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine?
1-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine has a molecular weight of 269.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 16785018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).