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

C16H24BrFN2 — CID 83052417

IUPAC2-(4-bromo-3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine
SMILESCCCC1CCCCN1C(CN)c1ccc(Br)c(F)c1
InChIInChI=1S/C16H24BrFN2/c1-2-5-13-6-3-4-9-20(13)16(11-19)12-7-8-14(17)15(18)10-12/h7-8,10,13,16H,2-6,9,11,19H2,1H3
InChIKeyHHFBMPAIDKGSSU-UHFFFAOYSA-N
MW343.28 g/mol
LogP4.24
Rot. Bonds5

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

2-(4-bromo-3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine (PubChem CID 83052417) has the molecular formula C16H24BrFN2 and a molecular weight of 343.28 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine
PubChem CID83052417
Molecular FormulaC16H24BrFN2
Molecular Weight343.28 g/mol
Exact Mass342.11
IUPAC Name2-(4-bromo-3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine
SMILESCCCC1CCCCN1C(CN)c1ccc(Br)c(F)c1
InChIInChI=1S/C16H24BrFN2/c1-2-5-13-6-3-4-9-20(13)16(11-19)12-7-8-14(17)15(18)10-12/h7-8,10,13,16H,2-6,9,11,19H2,1H3
InChIKeyHHFBMPAIDKGSSU-UHFFFAOYSA-N
XLogP4.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83053569
2-(3-bromo-4-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 105405159
2-(4-bromo-3-fluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine
CID 81436524
2-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 43266330
2-(4-bromo-2-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83052540
2-(2,6-difluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83053654
2-(3-bromo-4-methylphenyl)-2-(2-ethylazepan-1-yl)ethanamine
CID 105405177
2-[1-[2-amino-1-(3-fluorophenyl)ethyl]piperidin-2-yl]ethanol
CID 55020773
2-(4-bromo-3-fluorophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 81437156
2-(4-bromo-3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 81436946
2-(3-bromophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 43266358
2-(2-ethylpyrrolidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine
CID 63052117

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine (CID 83052417) is 2-(4-bromo-3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine is CCCC1CCCCN1C(CN)c1ccc(Br)c(F)c1.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine?
The InChIKey is HHFBMPAIDKGSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrFN2/c1-2-5-13-6-3-4-9-20(13)16(11-19)12-7-8-14(17)15(18)10-12/h7-8,10,13,16H,2-6,9,11,19H2,1H3.
What are the key properties of 2-(4-bromo-3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine?
2-(4-bromo-3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine has a molecular weight of 343.28 g/mol, XLogP of 4.24, 5 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-(2-propylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 83052417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).