2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine

C13H21BrN2O — CID 61390059

IUPAC2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
SMILESCCNCc1cccc(Br)c1OCCN(C)C
InChIInChI=1S/C13H21BrN2O/c1-4-15-10-11-6-5-7-12(14)13(11)17-9-8-16(2)3/h5-7,15H,4,8-10H2,1-3H3
InChIKeyZXIQYTSHNFZRIE-UHFFFAOYSA-N
MW301.23 g/mol
LogP2.50
Rot. Bonds7

About 2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine

2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine (PubChem CID 61390059) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
PubChem CID61390059
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
SMILESCCNCc1cccc(Br)c1OCCN(C)C
InChIInChI=1S/C13H21BrN2O/c1-4-15-10-11-6-5-7-12(14)13(11)17-9-8-16(2)3/h5-7,15H,4,8-10H2,1-3H3
InChIKeyZXIQYTSHNFZRIE-UHFFFAOYSA-N
XLogP2.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-bromo-6-(ethylaminomethyl)phenoxy]-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

N-[[3-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-1-amine
CID 61390702
2-[2-bromo-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 61389630
N-[(3-bromo-2-pentoxyphenyl)methyl]ethanamine
CID 55133993
methyl 3-[2-bromo-6-(ethylaminomethyl)phenoxy]propanoate
CID 63949097
N-[[3-bromo-2-[2-(diethylamino)ethoxy]phenyl]methyl]propan-1-amine
CID 61390561
N-[(3-bromo-2-hept-6-enoxyphenyl)methyl]ethanamine
CID 107006126
N-[[3-bromo-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 61390095
N-[[3-bromo-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine
CID 61494105
2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 107742092
N-[[3-bromo-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]ethanamine
CID 62699145
2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-diethylacetamide
CID 61390012
N-[[3-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63499927

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine (CID 61390059) is 2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine is CCNCc1cccc(Br)c1OCCN(C)C.
What is the InChIKey of 2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine?
The InChIKey is ZXIQYTSHNFZRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-4-15-10-11-6-5-7-12(14)13(11)17-9-8-16(2)3/h5-7,15H,4,8-10H2,1-3H3.
What are the key properties of 2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine?
2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine has a molecular weight of 301.23 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 61390059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).