2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]-N,N-dimethylethanamine

C14H22BrNO2 — CID 2181881

IUPAC2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]-N,N-dimethylethanamine
SMILESCc1cc(C)c(OCCOCCN(C)C)c(Br)c1
InChIInChI=1S/C14H22BrNO2/c1-11-9-12(2)14(13(15)10-11)18-8-7-17-6-5-16(3)4/h9-10H,5-8H2,1-4H3
InChIKeyRBNZKTBQGMQYAQ-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.02
Rot. Bonds7

About 2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]-N,N-dimethylethanamine

2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]-N,N-dimethylethanamine (PubChem CID 2181881) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is 2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]-N,N-dimethylethanamine
PubChem CID2181881
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC Name2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]-N,N-dimethylethanamine
SMILESCc1cc(C)c(OCCOCCN(C)C)c(Br)c1
InChIInChI=1S/C14H22BrNO2/c1-11-9-12(2)14(13(15)10-11)18-8-7-17-6-5-16(3)4/h9-10H,5-8H2,1-4H3
InChIKeyRBNZKTBQGMQYAQ-UHFFFAOYSA-N
XLogP3.02
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]-N,N-dimethylethanamine with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]-N,N-dimethylethanamine
CID 2184438
1-bromo-2-[2-(4-methoxyphenoxy)ethoxy]-3,5-dimethylbenzene
CID 2283505
1-[2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 2269669
2-(2-bromo-6-chloro-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid
CID 2935678
2-[2-(2-bromo-4,6-dimethylphenoxy)ethylamino]ethanol
CID 39292056
N,N'-bis[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethoxy]propyl]-N,N'-bis[2-[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]propoxy]ethoxy]ethyl]ethane-1,2-diamine
CID 59271055
2-(2-bromo-4,6-dimethylphenoxy)ethyl-[(2R)-butan-2-yl]azanium
CID 2181294
2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]-N,N-dimethylethanamine
CID 2181239
1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]pyrrolidin-1-ium
CID 2245875
2-[2-(dimethylamino)ethoxy]-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 104931875
3-(2-bromo-4,6-dimethylphenoxy)propyl-[(2R)-butan-2-yl]azanium
CID 2181906
3-(2-bromo-4,6-dimethylphenoxy)propyl-[(2S)-butan-2-yl]azanium
CID 2181904

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]-N,N-dimethylethanamine (CID 2181881) is 2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]-N,N-dimethylethanamine is Cc1cc(C)c(OCCOCCN(C)C)c(Br)c1.
What is the InChIKey of 2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]-N,N-dimethylethanamine?
The InChIKey is RBNZKTBQGMQYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2/c1-11-9-12(2)14(13(15)10-11)18-8-7-17-6-5-16(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]-N,N-dimethylethanamine?
2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]-N,N-dimethylethanamine has a molecular weight of 316.24 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 2181881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).