2-(2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine

C15H24FN3 — CID 43585183

IUPAC2-(2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
SMILESCC(C)N1CCN(C(CN)c2ccccc2F)CC1
InChIInChI=1S/C15H24FN3/c1-12(2)18-7-9-19(10-8-18)15(11-17)13-5-3-4-6-14(13)16/h3-6,12,15H,7-11,17H2,1-2H3
InChIKeyUPMQIXRMWGSOIZ-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.85
Rot. Bonds4

About 2-(2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine

2-(2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine (PubChem CID 43585183) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
PubChem CID43585183
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name2-(2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
SMILESCC(C)N1CCN(C(CN)c2ccccc2F)CC1
InChIInChI=1S/C15H24FN3/c1-12(2)18-7-9-19(10-8-18)15(11-17)13-5-3-4-6-14(13)16/h3-6,12,15H,7-11,17H2,1-2H3
InChIKeyUPMQIXRMWGSOIZ-UHFFFAOYSA-N
XLogP1.85
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 114487782
2-(2-fluorophenyl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine
CID 102742921
2-(4-propan-2-ylpiperazin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine
CID 63052102
2-(2-fluorophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
CID 114462445
2-(3-ethyl-4-methylpiperazin-1-yl)-2-(2-fluorophenyl)ethanamine
CID 63603473
2-(2,6-dichlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 43585100
2-(4-cyclopropylpiperazin-1-yl)-2-(2,3-difluorophenyl)ethanamine
CID 63668083
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 28716756
2-(2-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine
CID 81199156
2-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanamine
CID 60974674
2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 16791134
2-(4-bromo-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 43364591

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine (CID 43585183) is 2-(2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine is CC(C)N1CCN(C(CN)c2ccccc2F)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine?
The InChIKey is UPMQIXRMWGSOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-12(2)18-7-9-19(10-8-18)15(11-17)13-5-3-4-6-14(13)16/h3-6,12,15H,7-11,17H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine?
2-(2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine has a molecular weight of 265.38 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 43585183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).