2-[5-bromo-N-(2-methoxyethyl)-2-(methylaminomethyl)anilino]ethanol

C13H21BrN2O2 — CID 113467895

IUPAC2-[5-bromo-N-(2-methoxyethyl)-2-(methylaminomethyl)anilino]ethanol
SMILESCNCc1ccc(Br)cc1N(CCO)CCOC
InChIInChI=1S/C13H21BrN2O2/c1-15-10-11-3-4-12(14)9-13(11)16(5-7-17)6-8-18-2/h3-4,9,15,17H,5-8,10H2,1-2H3
InChIKeyYMAZXNJAQQAYQV-UHFFFAOYSA-N
MW317.23 g/mol
LogP1.61
Rot. Bonds8

About 2-[5-bromo-N-(2-methoxyethyl)-2-(methylaminomethyl)anilino]ethanol

2-[5-bromo-N-(2-methoxyethyl)-2-(methylaminomethyl)anilino]ethanol (PubChem CID 113467895) has the molecular formula C13H21BrN2O2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 2-[5-bromo-N-(2-methoxyethyl)-2-(methylaminomethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[5-bromo-N-(2-methoxyethyl)-2-(methylaminomethyl)anilino]ethanol
PubChem CID113467895
Molecular FormulaC13H21BrN2O2
Molecular Weight317.23 g/mol
Exact Mass316.08
IUPAC Name2-[5-bromo-N-(2-methoxyethyl)-2-(methylaminomethyl)anilino]ethanol
SMILESCNCc1ccc(Br)cc1N(CCO)CCOC
InChIInChI=1S/C13H21BrN2O2/c1-15-10-11-3-4-12(14)9-13(11)16(5-7-17)6-8-18-2/h3-4,9,15,17H,5-8,10H2,1-2H3
InChIKeyYMAZXNJAQQAYQV-UHFFFAOYSA-N
XLogP1.61
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[5-bromo-N-(2-methoxyethyl)-2-(methylaminomethyl)anilino]ethanol 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

5-bromo-N-ethyl-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 54949226
2-(aminomethyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline
CID 61418446
2-[2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)anilino]ethanol
CID 114889791
2-[5-bromo-2-(ethylaminomethyl)-N-propylanilino]ethanol
CID 61424896
5-bromo-N,N-diethyl-2-(methylaminomethyl)aniline
CID 43280334
2-[5-bromo-N-cyclopropyl-2-(methylaminomethyl)anilino]ethanol
CID 54994722
5-bromo-2-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methoxyethyl)aniline
CID 61447057
2-(2-aminobutyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline
CID 63817422
2-[4-bromo-N-(2-methoxyethyl)-2-nitroanilino]ethanol
CID 115672573
5-bromo-N,N-dimethyl-2-(methylaminomethyl)aniline
CID 43281259
2-(2-aminoethyl)-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 63786690
N,N-bis(2-methoxyethyl)-3-methyl-4-(methylaminomethyl)aniline
CID 55039064

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-N-(2-methoxyethyl)-2-(methylaminomethyl)anilino]ethanol?
The IUPAC name of 2-[5-bromo-N-(2-methoxyethyl)-2-(methylaminomethyl)anilino]ethanol (CID 113467895) is 2-[5-bromo-N-(2-methoxyethyl)-2-(methylaminomethyl)anilino]ethanol.
What is the SMILES notation for 2-[5-bromo-N-(2-methoxyethyl)-2-(methylaminomethyl)anilino]ethanol?
The canonical SMILES for 2-[5-bromo-N-(2-methoxyethyl)-2-(methylaminomethyl)anilino]ethanol is CNCc1ccc(Br)cc1N(CCO)CCOC.
What is the InChIKey of 2-[5-bromo-N-(2-methoxyethyl)-2-(methylaminomethyl)anilino]ethanol?
The InChIKey is YMAZXNJAQQAYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O2/c1-15-10-11-3-4-12(14)9-13(11)16(5-7-17)6-8-18-2/h3-4,9,15,17H,5-8,10H2,1-2H3.
What are the key properties of 2-[5-bromo-N-(2-methoxyethyl)-2-(methylaminomethyl)anilino]ethanol?
2-[5-bromo-N-(2-methoxyethyl)-2-(methylaminomethyl)anilino]ethanol has a molecular weight of 317.23 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-N-(2-methoxyethyl)-2-(methylaminomethyl)anilino]ethanol is sourced from PubChem (CID 113467895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).