2-(4-bromophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine

C15H23BrN2 — CID 61421143

IUPAC2-(4-bromophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine
SMILESCCC1CCN(C(CN)c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H23BrN2/c1-2-12-7-9-18(10-8-12)15(11-17)13-3-5-14(16)6-4-13/h3-6,12,15H,2,7-11,17H2,1H3
InChIKeyPTYRLNCCDMVSSF-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.57
Rot. Bonds4

About 2-(4-bromophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine

2-(4-bromophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine (PubChem CID 61421143) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine
PubChem CID61421143
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name2-(4-bromophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine
SMILESCCC1CCN(C(CN)c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H23BrN2/c1-2-12-7-9-18(10-8-12)15(11-17)13-3-5-14(16)6-4-13/h3-6,12,15H,2,7-11,17H2,1H3
InChIKeyPTYRLNCCDMVSSF-UHFFFAOYSA-N
XLogP3.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-fluorophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 61420997
2-(4-bromo-3-fluorophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 81437156
1-[2-amino-1-(4-bromophenyl)ethyl]-4-methylpiperidin-3-ol
CID 102956112
2-(5-bromothiophen-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 54983881
2-(4-bromophenyl)-2-piperazin-1-ylethanamine
CID 82094058
3-(4-ethylpiperidin-1-yl)-3-phenylpropan-1-amine
CID 62780033
2-(4,5-dibromofuran-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 55032552
2-(4-bromophenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine
CID 54985342
(2S)-2-(4-bromophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 30072752
[1-[1-(4-bromophenyl)propyl]pyrrolidin-3-yl]methanol
CID 75386168
1-[2-amino-1-(4-bromophenyl)ethyl]piperidin-3-ol
CID 55015978
2-(4-ethylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanamine
CID 61420799

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine (CID 61421143) is 2-(4-bromophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine is CCC1CCN(C(CN)c2ccc(Br)cc2)CC1.
What is the InChIKey of 2-(4-bromophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine?
The InChIKey is PTYRLNCCDMVSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-2-12-7-9-18(10-8-12)15(11-17)13-3-5-14(16)6-4-13/h3-6,12,15H,2,7-11,17H2,1H3.
What are the key properties of 2-(4-bromophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine?
2-(4-bromophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine has a molecular weight of 311.27 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 61421143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).