2-(4-bromophenyl)-2-(2-ethoxyethoxy)-N-methylethanamine

C13H20BrNO2 — CID 55036521

IUPAC2-(4-bromophenyl)-2-(2-ethoxyethoxy)-N-methylethanamine
SMILESCCOCCOC(CNC)c1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO2/c1-3-16-8-9-17-13(10-15-2)11-4-6-12(14)7-5-11/h4-7,13,15H,3,8-10H2,1-2H3
InChIKeyRFGCMOSHZMAEEG-UHFFFAOYSA-N
MW302.21 g/mol
LogP2.76
Rot. Bonds8

About 2-(4-bromophenyl)-2-(2-ethoxyethoxy)-N-methylethanamine

2-(4-bromophenyl)-2-(2-ethoxyethoxy)-N-methylethanamine (PubChem CID 55036521) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-(2-ethoxyethoxy)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-(2-ethoxyethoxy)-N-methylethanamine
PubChem CID55036521
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name2-(4-bromophenyl)-2-(2-ethoxyethoxy)-N-methylethanamine
SMILESCCOCCOC(CNC)c1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO2/c1-3-16-8-9-17-13(10-15-2)11-4-6-12(14)7-5-11/h4-7,13,15H,3,8-10H2,1-2H3
InChIKeyRFGCMOSHZMAEEG-UHFFFAOYSA-N
XLogP2.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-bromophenyl)-2-(2-ethoxyethoxy)-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-(2-ethoxyethoxy)-N-methylethanamine?
The IUPAC name of 2-(4-bromophenyl)-2-(2-ethoxyethoxy)-N-methylethanamine (CID 55036521) is 2-(4-bromophenyl)-2-(2-ethoxyethoxy)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-2-(2-ethoxyethoxy)-N-methylethanamine?
The canonical SMILES for 2-(4-bromophenyl)-2-(2-ethoxyethoxy)-N-methylethanamine is CCOCCOC(CNC)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-(2-ethoxyethoxy)-N-methylethanamine?
The InChIKey is RFGCMOSHZMAEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-3-16-8-9-17-13(10-15-2)11-4-6-12(14)7-5-11/h4-7,13,15H,3,8-10H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-2-(2-ethoxyethoxy)-N-methylethanamine?
2-(4-bromophenyl)-2-(2-ethoxyethoxy)-N-methylethanamine has a molecular weight of 302.21 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-(2-ethoxyethoxy)-N-methylethanamine is sourced from PubChem (CID 55036521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).