5-bromo-N-ethyl-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline

C13H21BrN2O — CID 54949226

IUPAC5-bromo-N-ethyl-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline
SMILESCCN(CCOC)c1cc(Br)ccc1CNC
InChIInChI=1S/C13H21BrN2O/c1-4-16(7-8-17-3)13-9-12(14)6-5-11(13)10-15-2/h5-6,9,15H,4,7-8,10H2,1-3H3
InChIKeyOGBKOUFCZHUGMT-UHFFFAOYSA-N
MW301.23 g/mol
LogP2.64
Rot. Bonds7

About 5-bromo-N-ethyl-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline

5-bromo-N-ethyl-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline (PubChem CID 54949226) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline
PubChem CID54949226
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name5-bromo-N-ethyl-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline
SMILESCCN(CCOC)c1cc(Br)ccc1CNC
InChIInChI=1S/C13H21BrN2O/c1-4-16(7-8-17-3)13-9-12(14)6-5-11(13)10-15-2/h5-6,9,15H,4,7-8,10H2,1-3H3
InChIKeyOGBKOUFCZHUGMT-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-bromo-N-(2-methoxyethyl)-2-(methylaminomethyl)anilino]ethanol
CID 113467895
5-bromo-N,N-diethyl-2-(methylaminomethyl)aniline
CID 43280334
5-bromo-2-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methoxyethyl)aniline
CID 61447057
2-(aminomethyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline
CID 61418446
2-(2-aminobutyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline
CID 63817422
5-bromo-N,N-dimethyl-2-(methylaminomethyl)aniline
CID 43281259
5-bromo-N-(2-ethoxyethyl)-N-ethyl-2-[(2-methylpropylamino)methyl]aniline
CID 63691375
N,N-bis(2-methoxyethyl)-3-methyl-4-(methylaminomethyl)aniline
CID 55039064
5-bromo-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline
CID 63551959
2-(2-aminoethyl)-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 63786690
5-bromo-N-butan-2-yl-N-methyl-2-(methylaminomethyl)aniline
CID 43281950
2-(aminomethyl)-5-bromo-N-ethyl-N-propylaniline
CID 43268985

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline?
The IUPAC name of 5-bromo-N-ethyl-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline (CID 54949226) is 5-bromo-N-ethyl-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline.
What is the SMILES notation for 5-bromo-N-ethyl-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline?
The canonical SMILES for 5-bromo-N-ethyl-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline is CCN(CCOC)c1cc(Br)ccc1CNC.
What is the InChIKey of 5-bromo-N-ethyl-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline?
The InChIKey is OGBKOUFCZHUGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-4-16(7-8-17-3)13-9-12(14)6-5-11(13)10-15-2/h5-6,9,15H,4,7-8,10H2,1-3H3.
What are the key properties of 5-bromo-N-ethyl-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline?
5-bromo-N-ethyl-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline has a molecular weight of 301.23 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline is sourced from PubChem (CID 54949226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).