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

C14H21F2N3 — CID 16791134

IUPAC2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
SMILESCCN1CCN(C(CN)c2ccc(F)cc2F)CC1
InChIInChI=1S/C14H21F2N3/c1-2-18-5-7-19(8-6-18)14(10-17)12-4-3-11(15)9-13(12)16/h3-4,9,14H,2,5-8,10,17H2,1H3
InChIKeyRPICFRAZJBJRIL-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.60
Rot. Bonds4

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

2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine (PubChem CID 16791134) has the molecular formula C14H21F2N3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
PubChem CID16791134
Molecular FormulaC14H21F2N3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
SMILESCCN1CCN(C(CN)c2ccc(F)cc2F)CC1
InChIInChI=1S/C14H21F2N3/c1-2-18-5-7-19(8-6-18)14(10-17)12-4-3-11(15)9-13(12)16/h3-4,9,14H,2,5-8,10,17H2,1H3
InChIKeyRPICFRAZJBJRIL-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-(2,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine
CID 55157458
2-(2,4-difluorophenyl)-2-morpholin-4-ylethanamine;hydrochloride
CID 46736564
1-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 16785018
2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)acetonitrile
CID 84746336
2-(4-bromo-2-fluorophenyl)-2-(4-propylpiperazin-1-yl)ethanamine
CID 43364603
2-(2,4-difluorophenyl)-2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethanamine
CID 107454108
2-(4-bromo-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 43364591
2-(2,4-difluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531886
(2S)-2-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552543
2-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-5-methoxyphenol
CID 82043681
2-(4-chloro-2-fluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 114842786
4-[1-(4-ethylpiperazin-1-yl)ethyl]-3-fluoroaniline
CID 154967774

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine (CID 16791134) is 2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine is CCN1CCN(C(CN)c2ccc(F)cc2F)CC1.
What is the InChIKey of 2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine?
The InChIKey is RPICFRAZJBJRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3/c1-2-18-5-7-19(8-6-18)14(10-17)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 2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine?
2-(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 2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 16791134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).