2-(4-bromophenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine

C15H23BrN2O — CID 54985342

IUPAC2-(4-bromophenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine
SMILESCCOC1CCCN(C(CN)c2ccc(Br)cc2)C1
InChIInChI=1S/C15H23BrN2O/c1-2-19-14-4-3-9-18(11-14)15(10-17)12-5-7-13(16)8-6-12/h5-8,14-15H,2-4,9-11,17H2,1H3
InChIKeyGMVMADGWAASDRG-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.95
Rot. Bonds5

About 2-(4-bromophenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine

2-(4-bromophenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine (PubChem CID 54985342) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine
PubChem CID54985342
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-(4-bromophenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine
SMILESCCOC1CCCN(C(CN)c2ccc(Br)cc2)C1
InChIInChI=1S/C15H23BrN2O/c1-2-19-14-4-3-9-18(11-14)15(10-17)12-5-7-13(16)8-6-12/h5-8,14-15H,2-4,9-11,17H2,1H3
InChIKeyGMVMADGWAASDRG-UHFFFAOYSA-N
XLogP2.95
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine (CID 54985342) is 2-(4-bromophenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine is CCOC1CCCN(C(CN)c2ccc(Br)cc2)C1.
What is the InChIKey of 2-(4-bromophenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine?
The InChIKey is GMVMADGWAASDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-2-19-14-4-3-9-18(11-14)15(10-17)12-5-7-13(16)8-6-12/h5-8,14-15H,2-4,9-11,17H2,1H3.
What are the key properties of 2-(4-bromophenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine?
2-(4-bromophenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine has a molecular weight of 327.27 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine is sourced from PubChem (CID 54985342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).