2-(2-bromophenyl)-N-ethyl-2-(2-propan-2-yloxyethoxy)ethanamine

C15H24BrNO2 — CID 62108481

IUPAC2-(2-bromophenyl)-N-ethyl-2-(2-propan-2-yloxyethoxy)ethanamine
SMILESCCNCC(OCCOC(C)C)c1ccccc1Br
InChIInChI=1S/C15H24BrNO2/c1-4-17-11-15(19-10-9-18-12(2)3)13-7-5-6-8-14(13)16/h5-8,12,15,17H,4,9-11H2,1-3H3
InChIKeyRUXLFTJVDZQGQM-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.54
Rot. Bonds9

About 2-(2-bromophenyl)-N-ethyl-2-(2-propan-2-yloxyethoxy)ethanamine

2-(2-bromophenyl)-N-ethyl-2-(2-propan-2-yloxyethoxy)ethanamine (PubChem CID 62108481) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-ethyl-2-(2-propan-2-yloxyethoxy)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-ethyl-2-(2-propan-2-yloxyethoxy)ethanamine
PubChem CID62108481
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name2-(2-bromophenyl)-N-ethyl-2-(2-propan-2-yloxyethoxy)ethanamine
SMILESCCNCC(OCCOC(C)C)c1ccccc1Br
InChIInChI=1S/C15H24BrNO2/c1-4-17-11-15(19-10-9-18-12(2)3)13-7-5-6-8-14(13)16/h5-8,12,15,17H,4,9-11H2,1-3H3
InChIKeyRUXLFTJVDZQGQM-UHFFFAOYSA-N
XLogP3.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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-(2-bromophenyl)-2-[(4-chlorophenyl)methoxy]-N-ethylethanamine
CID 65124744
2-(2-bromophenyl)-2-(1-ethoxypropan-2-yloxy)-N-ethylethanamine
CID 103490191
N-[2-(2-bromophenyl)-2-(2-methylpropoxy)ethyl]propan-1-amine
CID 55036763
2-(2-bromophenyl)-N-methyl-2-(4-methylpentoxy)ethanamine
CID 55036243
2-(2-bromophenyl)-N-ethyl-2-(oxolan-2-ylmethoxy)ethanamine
CID 62107604
N-[2-(2-bromophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 62108632
2-(2-ethoxyethoxy)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 62105959
2-(2-bromophenyl)-N-methyl-4-propan-2-yloxybutan-1-amine
CID 79449527
2-(2-bromophenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 62107661
N-ethyl-2-(2-fluorophenyl)-2-pentoxyethanamine
CID 55036773
N-[2-(2-bromophenyl)-2-pentan-2-yloxyethyl]propan-1-amine
CID 102984669
2-(2-bromophenyl)-N-methyl-2-(3-phenylpropoxy)ethanamine
CID 62109237

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-ethyl-2-(2-propan-2-yloxyethoxy)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-N-ethyl-2-(2-propan-2-yloxyethoxy)ethanamine (CID 62108481) is 2-(2-bromophenyl)-N-ethyl-2-(2-propan-2-yloxyethoxy)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-N-ethyl-2-(2-propan-2-yloxyethoxy)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-N-ethyl-2-(2-propan-2-yloxyethoxy)ethanamine is CCNCC(OCCOC(C)C)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-N-ethyl-2-(2-propan-2-yloxyethoxy)ethanamine?
The InChIKey is RUXLFTJVDZQGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-4-17-11-15(19-10-9-18-12(2)3)13-7-5-6-8-14(13)16/h5-8,12,15,17H,4,9-11H2,1-3H3.
What are the key properties of 2-(2-bromophenyl)-N-ethyl-2-(2-propan-2-yloxyethoxy)ethanamine?
2-(2-bromophenyl)-N-ethyl-2-(2-propan-2-yloxyethoxy)ethanamine has a molecular weight of 330.27 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-ethyl-2-(2-propan-2-yloxyethoxy)ethanamine is sourced from PubChem (CID 62108481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).