2-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine

C16H24BrClN2 — CID 103494603

IUPAC2-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
SMILESCC(C)C1CCN(C(CN)c2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C16H24BrClN2/c1-11(2)12-5-7-20(8-6-12)16(10-19)14-4-3-13(17)9-15(14)18/h3-4,9,11-12,16H,5-8,10,19H2,1-2H3
InChIKeyXAAYYSYKUBRSJZ-UHFFFAOYSA-N
MW359.74 g/mol
LogP4.47
Rot. Bonds4

About 2-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine

2-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine (PubChem CID 103494603) has the molecular formula C16H24BrClN2 and a molecular weight of 359.74 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
PubChem CID103494603
Molecular FormulaC16H24BrClN2
Molecular Weight359.74 g/mol
Exact Mass358.08
IUPAC Name2-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
SMILESCC(C)C1CCN(C(CN)c2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C16H24BrClN2/c1-11(2)12-5-7-20(8-6-12)16(10-19)14-4-3-13(17)9-15(14)18/h3-4,9,11-12,16H,5-8,10,19H2,1-2H3
InChIKeyXAAYYSYKUBRSJZ-UHFFFAOYSA-N
XLogP4.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.74
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-4-yl]ethanamine
CID 82773660
1-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103502648
2-(2,4-dimethylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103494712
1-[2-amino-1-(2,4-dichlorophenyl)ethyl]-N,N-dimethylpiperidin-4-amine
CID 43585830
2-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylazepan-1-yl)ethanamine
CID 106817440
N-[[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 82778922
1-[2-amino-1-(2,4-dichlorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166284
2-(4-bromo-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 43364591
2-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-3-yl]ethanamine
CID 82774438
1-[(1S)-1-(4-bromo-2-chlorophenyl)-3-fluoropropyl]piperazine
CID 171164041
[1-[1-(4-bromo-2-chlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 82778837
2-(3-fluorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103494730

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine (CID 103494603) is 2-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine is CC(C)C1CCN(C(CN)c2ccc(Br)cc2Cl)CC1.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine?
The InChIKey is XAAYYSYKUBRSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrClN2/c1-11(2)12-5-7-20(8-6-12)16(10-19)14-4-3-13(17)9-15(14)18/h3-4,9,11-12,16H,5-8,10,19H2,1-2H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine?
2-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine has a molecular weight of 359.74 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 103494603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).