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

C17H27BrN2 — CID 105405159

IUPAC2-(3-bromo-4-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine
SMILESCCCC1CCCCN1C(CN)c1ccc(C)c(Br)c1
InChIInChI=1S/C17H27BrN2/c1-3-6-15-7-4-5-10-20(15)17(12-19)14-9-8-13(2)16(18)11-14/h8-9,11,15,17H,3-7,10,12,19H2,1-2H3
InChIKeyCDKJEFVTAOQHRM-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.41
Rot. Bonds5

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

2-(3-bromo-4-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine (PubChem CID 105405159) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 2-(3-bromo-4-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine
PubChem CID105405159
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name2-(3-bromo-4-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine
SMILESCCCC1CCCCN1C(CN)c1ccc(C)c(Br)c1
InChIInChI=1S/C17H27BrN2/c1-3-6-15-7-4-5-10-20(15)17(12-19)14-9-8-13(2)16(18)11-14/h8-9,11,15,17H,3-7,10,12,19H2,1-2H3
InChIKeyCDKJEFVTAOQHRM-UHFFFAOYSA-N
XLogP4.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-methylphenyl)-2-(2-ethylazepan-1-yl)ethanamine
CID 105405177
2-(4-bromo-3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83052417
2-(3,4-difluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83053569
2-(3,4-dimethylphenyl)-2-(2-ethylazepan-1-yl)ethanamine
CID 104689217
2-(4-bromo-2-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83052540
2-(4-methyl-3-pyridinyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83052021
2-(3-bromophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 43266358
2-(2,6-difluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83053654
2-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 43266330
2-(2-propylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 103571978
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(4-bromo-3-methylphenyl)ethanamine
CID 66474433
2-(2-ethylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 43266345

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(3-bromo-4-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine (CID 105405159) is 2-(3-bromo-4-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-4-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-4-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine is CCCC1CCCCN1C(CN)c1ccc(C)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine?
The InChIKey is CDKJEFVTAOQHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-3-6-15-7-4-5-10-20(15)17(12-19)14-9-8-13(2)16(18)11-14/h8-9,11,15,17H,3-7,10,12,19H2,1-2H3.
What are the key properties of 2-(3-bromo-4-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine?
2-(3-bromo-4-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine has a molecular weight of 339.32 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 105405159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).