2-(4-bromo-3-fluorophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine

C15H22BrFN2 — CID 81437156

IUPAC2-(4-bromo-3-fluorophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine
SMILESCCC1CCN(C(CN)c2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C15H22BrFN2/c1-2-11-5-7-19(8-6-11)15(10-18)12-3-4-13(16)14(17)9-12/h3-4,9,11,15H,2,5-8,10,18H2,1H3
InChIKeySMKRUAKEAFZOEI-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.71
Rot. Bonds4

About 2-(4-bromo-3-fluorophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine

2-(4-bromo-3-fluorophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine (PubChem CID 81437156) has the molecular formula C15H22BrFN2 and a molecular weight of 329.26 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine
PubChem CID81437156
Molecular FormulaC15H22BrFN2
Molecular Weight329.26 g/mol
Exact Mass328.10
IUPAC Name2-(4-bromo-3-fluorophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine
SMILESCCC1CCN(C(CN)c2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C15H22BrFN2/c1-2-11-5-7-19(8-6-11)15(10-18)12-3-4-13(16)14(17)9-12/h3-4,9,11,15H,2,5-8,10,18H2,1H3
InChIKeySMKRUAKEAFZOEI-UHFFFAOYSA-N
XLogP3.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine (CID 81437156) is 2-(4-bromo-3-fluorophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine is CCC1CCN(C(CN)c2ccc(Br)c(F)c2)CC1.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine?
The InChIKey is SMKRUAKEAFZOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2/c1-2-11-5-7-19(8-6-11)15(10-18)12-3-4-13(16)14(17)9-12/h3-4,9,11,15H,2,5-8,10,18H2,1H3.
What are the key properties of 2-(4-bromo-3-fluorophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine?
2-(4-bromo-3-fluorophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine has a molecular weight of 329.26 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 81437156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).