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

C15H24BrNO2 — CID 62110378

IUPAC2-(4-bromophenyl)-2-(2-butoxyethoxy)-N-methylethanamine
SMILESCCCCOCCOC(CNC)c1ccc(Br)cc1
InChIInChI=1S/C15H24BrNO2/c1-3-4-9-18-10-11-19-15(12-17-2)13-5-7-14(16)8-6-13/h5-8,15,17H,3-4,9-12H2,1-2H3
InChIKeyXPBNLVNRXAXTPS-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.54
Rot. Bonds10

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

2-(4-bromophenyl)-2-(2-butoxyethoxy)-N-methylethanamine (PubChem CID 62110378) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-(2-butoxyethoxy)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-(2-butoxyethoxy)-N-methylethanamine
PubChem CID62110378
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name2-(4-bromophenyl)-2-(2-butoxyethoxy)-N-methylethanamine
SMILESCCCCOCCOC(CNC)c1ccc(Br)cc1
InChIInChI=1S/C15H24BrNO2/c1-3-4-9-18-10-11-19-15(12-17-2)13-5-7-14(16)8-6-13/h5-8,15,17H,3-4,9-12H2,1-2H3
InChIKeyXPBNLVNRXAXTPS-UHFFFAOYSA-N
XLogP3.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-2-(2-ethoxyethoxy)-N-methylethanamine
CID 55036521
2-(4-bromophenyl)-N-methyl-2-octoxyethanamine
CID 63476270
2-(4-bromophenyl)-2-(2-ethylhexoxy)-N-methylethanamine
CID 63474642
2-(4-bromophenyl)-2-(3-methoxypropoxy)-N-methylethanamine
CID 62106281
2-(4-bromophenyl)-2-(2-cyclopropylethoxy)-N-methylethanamine
CID 106204927
N-[2-(4-bromophenyl)-2-(2-propoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 63686186
2-(3-bromophenyl)-2-butoxy-N-methylethanamine
CID 62107473
2-(4-methoxyphenyl)-N-methyl-2-pentoxyethanamine
CID 62110727
N-[2-(4-bromophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine
CID 63475206
N-[2-(4-bromophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 62107369
2-(3-bromophenyl)-2-[3-(2-methoxyethoxy)propoxy]-N-methylethanamine
CID 103405191
2-hexoxy-N-methyl-2-phenylethanamine
CID 55036294

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-(2-butoxyethoxy)-N-methylethanamine?
The IUPAC name of 2-(4-bromophenyl)-2-(2-butoxyethoxy)-N-methylethanamine (CID 62110378) is 2-(4-bromophenyl)-2-(2-butoxyethoxy)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-2-(2-butoxyethoxy)-N-methylethanamine?
The canonical SMILES for 2-(4-bromophenyl)-2-(2-butoxyethoxy)-N-methylethanamine is CCCCOCCOC(CNC)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-(2-butoxyethoxy)-N-methylethanamine?
The InChIKey is XPBNLVNRXAXTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-3-4-9-18-10-11-19-15(12-17-2)13-5-7-14(16)8-6-13/h5-8,15,17H,3-4,9-12H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-2-(2-butoxyethoxy)-N-methylethanamine?
2-(4-bromophenyl)-2-(2-butoxyethoxy)-N-methylethanamine has a molecular weight of 330.27 g/mol, XLogP of 3.54, 10 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-butoxyethoxy)-N-methylethanamine is sourced from PubChem (CID 62110378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).