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

C16H25BrN2O — CID 61036698

IUPAC2-(3-bromo-4-methoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine
SMILESCCC1CCCN(C(CN)c2ccc(OC)c(Br)c2)C1
InChIInChI=1S/C16H25BrN2O/c1-3-12-5-4-8-19(11-12)15(10-18)13-6-7-16(20-2)14(17)9-13/h6-7,9,12,15H,3-5,8,10-11,18H2,1-2H3
InChIKeyMAIRAPARMLFNAO-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.58
Rot. Bonds5

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

2-(3-bromo-4-methoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine (PubChem CID 61036698) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine
PubChem CID61036698
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name2-(3-bromo-4-methoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine
SMILESCCC1CCCN(C(CN)c2ccc(OC)c(Br)c2)C1
InChIInChI=1S/C16H25BrN2O/c1-3-12-5-4-8-19(11-12)15(10-18)13-6-7-16(20-2)14(17)9-13/h6-7,9,12,15H,3-5,8,10-11,18H2,1-2H3
InChIKeyMAIRAPARMLFNAO-UHFFFAOYSA-N
XLogP3.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103531609
2-(3-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 43584268
2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586275
2-(4-ethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine
CID 43584286
2-(3-ethylpiperidin-1-yl)-2-(6-methoxy-3-pyridinyl)ethanamine
CID 114937023
2-(3-ethylpiperidin-1-yl)-2-(3-methylphenyl)ethanamine
CID 43584386
2-(1,3-benzodioxol-5-yl)-2-(3-ethylpiperidin-1-yl)ethanamine
CID 43584359
2-(2,3-dimethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine
CID 43584302
2-(3,4-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965080
2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 105405028
2-[3-(methoxymethyl)piperidin-1-yl]-2-(4-propan-2-ylphenyl)ethanamine
CID 106586372
(2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 9161144

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine (CID 61036698) is 2-(3-bromo-4-methoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine is CCC1CCCN(C(CN)c2ccc(OC)c(Br)c2)C1.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine?
The InChIKey is MAIRAPARMLFNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-3-12-5-4-8-19(11-12)15(10-18)13-6-7-16(20-2)14(17)9-13/h6-7,9,12,15H,3-5,8,10-11,18H2,1-2H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine?
2-(3-bromo-4-methoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine has a molecular weight of 341.29 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 61036698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).