2-(4-bromo-2-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine

C15H22BrFN2 — CID 62123532

IUPAC2-(4-bromo-2-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
SMILESCC1CCCN(C(CN)c2ccc(Br)cc2F)C1C
InChIInChI=1S/C15H22BrFN2/c1-10-4-3-7-19(11(10)2)15(9-18)13-6-5-12(16)8-14(13)17/h5-6,8,10-11,15H,3-4,7,9,18H2,1-2H3
InChIKeySZBUNIYPXAQJAP-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.71
Rot. Bonds3

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

2-(4-bromo-2-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine (PubChem CID 62123532) has the molecular formula C15H22BrFN2 and a molecular weight of 329.26 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
PubChem CID62123532
Molecular FormulaC15H22BrFN2
Molecular Weight329.26 g/mol
Exact Mass328.10
IUPAC Name2-(4-bromo-2-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
SMILESCC1CCCN(C(CN)c2ccc(Br)cc2F)C1C
InChIInChI=1S/C15H22BrFN2/c1-10-4-3-7-19(11(10)2)15(9-18)13-6-5-12(16)8-14(13)17/h5-6,8,10-11,15H,3-4,7,9,18H2,1-2H3
InChIKeySZBUNIYPXAQJAP-UHFFFAOYSA-N
XLogP3.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

2-(4-bromo-2-fluorophenyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine
CID 79927936
2-(3-bromo-4-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 62125147
2-(4-bromo-2-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83052540
2-(4-chloro-3-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 62124067
2-(4-bromo-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 43364591
2-(4-bromo-5-methylthiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 102839059
2-[3-(difluoromethyl)phenyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 115526864
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(2,4-difluorophenyl)ethanamine
CID 102725786
2-(2,3-dimethylpiperidin-1-yl)-2-(4-methylsulfanylphenyl)ethanamine
CID 55040419
2-(4-bromo-2-fluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531943
2-(5-bromo-2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 16784586
2-(5-bromo-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63624974

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine (CID 62123532) is 2-(4-bromo-2-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine is CC1CCCN(C(CN)c2ccc(Br)cc2F)C1C.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine?
The InChIKey is SZBUNIYPXAQJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2/c1-10-4-3-7-19(11(10)2)15(9-18)13-6-5-12(16)8-14(13)17/h5-6,8,10-11,15H,3-4,7,9,18H2,1-2H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine?
2-(4-bromo-2-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine has a molecular weight of 329.26 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 62123532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).