2-(3-bromophenyl)-2-[3-(2-methoxyethoxy)propoxy]-N-methylethanamine

C15H24BrNO3 — CID 103405191

IUPAC2-(3-bromophenyl)-2-[3-(2-methoxyethoxy)propoxy]-N-methylethanamine
SMILESCNCC(OCCCOCCOC)c1cccc(Br)c1
InChIInChI=1S/C15H24BrNO3/c1-17-12-15(13-5-3-6-14(16)11-13)20-8-4-7-19-10-9-18-2/h3,5-6,11,15,17H,4,7-10,12H2,1-2H3
InChIKeyXQGRRWDJMZSNLJ-UHFFFAOYSA-N
MW346.27 g/mol
LogP2.78
Rot. Bonds11

About 2-(3-bromophenyl)-2-[3-(2-methoxyethoxy)propoxy]-N-methylethanamine

2-(3-bromophenyl)-2-[3-(2-methoxyethoxy)propoxy]-N-methylethanamine (PubChem CID 103405191) has the molecular formula C15H24BrNO3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-[3-(2-methoxyethoxy)propoxy]-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-[3-(2-methoxyethoxy)propoxy]-N-methylethanamine
PubChem CID103405191
Molecular FormulaC15H24BrNO3
Molecular Weight346.27 g/mol
Exact Mass345.09
IUPAC Name2-(3-bromophenyl)-2-[3-(2-methoxyethoxy)propoxy]-N-methylethanamine
SMILESCNCC(OCCCOCCOC)c1cccc(Br)c1
InChIInChI=1S/C15H24BrNO3/c1-17-12-15(13-5-3-6-14(16)11-13)20-8-4-7-19-10-9-18-2/h3,5-6,11,15,17H,4,7-10,12H2,1-2H3
InChIKeyXQGRRWDJMZSNLJ-UHFFFAOYSA-N
XLogP2.78
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-methoxyethoxy)propoxy]-N-methyl-2-phenylethanamine
CID 103405244
2-(3-bromophenyl)-2-butoxy-N-methylethanamine
CID 62107473
2-(3-methoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine
CID 103180506
2-(4-bromophenyl)-2-(3-methoxypropoxy)-N-methylethanamine
CID 62106281
2-(2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]-N-methylethanamine
CID 103405175
1-[2-bromo-1-[3-(2-methoxyethoxy)propoxy]ethyl]-3-chlorobenzene
CID 103405049
2-(4-bromophenyl)-2-(2-butoxyethoxy)-N-methylethanamine
CID 62110378
1-bromo-3-[2-bromo-1-(2-butoxyethoxy)ethyl]benzene
CID 62107616
1-(3-bromophenyl)-N-[3-(2-methoxyethoxy)propyl]propan-1-amine
CID 43770902
1-(3-bromophenyl)-N-[2-(3-methoxypropoxy)ethyl]ethanamine
CID 103178663
N-[2-(3-bromophenyl)-2-(4-methylpentoxy)ethyl]-2-methylpropan-2-amine
CID 63474821
2-(3-bromophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine
CID 62106102

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-[3-(2-methoxyethoxy)propoxy]-N-methylethanamine?
The IUPAC name of 2-(3-bromophenyl)-2-[3-(2-methoxyethoxy)propoxy]-N-methylethanamine (CID 103405191) is 2-(3-bromophenyl)-2-[3-(2-methoxyethoxy)propoxy]-N-methylethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-2-[3-(2-methoxyethoxy)propoxy]-N-methylethanamine?
The canonical SMILES for 2-(3-bromophenyl)-2-[3-(2-methoxyethoxy)propoxy]-N-methylethanamine is CNCC(OCCCOCCOC)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-2-[3-(2-methoxyethoxy)propoxy]-N-methylethanamine?
The InChIKey is XQGRRWDJMZSNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO3/c1-17-12-15(13-5-3-6-14(16)11-13)20-8-4-7-19-10-9-18-2/h3,5-6,11,15,17H,4,7-10,12H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-2-[3-(2-methoxyethoxy)propoxy]-N-methylethanamine?
2-(3-bromophenyl)-2-[3-(2-methoxyethoxy)propoxy]-N-methylethanamine has a molecular weight of 346.27 g/mol, XLogP of 2.78, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-[3-(2-methoxyethoxy)propoxy]-N-methylethanamine is sourced from PubChem (CID 103405191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).