2-[(2-amino-4-bromophenyl)methyl-methylamino]ethanol

C10H15BrN2O — CID 114380401

IUPAC2-[(2-amino-4-bromophenyl)methyl-methylamino]ethanol
SMILESCN(CCO)Cc1ccc(Br)cc1N
InChIInChI=1S/C10H15BrN2O/c1-13(4-5-14)7-8-2-3-9(11)6-10(8)12/h2-3,6,14H,4-5,7,12H2,1H3
InChIKeyXLTWFUZFYZATFN-UHFFFAOYSA-N
MW259.15 g/mol
LogP1.46
Rot. Bonds4

About 2-[(2-amino-4-bromophenyl)methyl-methylamino]ethanol

2-[(2-amino-4-bromophenyl)methyl-methylamino]ethanol (PubChem CID 114380401) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 2-[(2-amino-4-bromophenyl)methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-4-bromophenyl)methyl-methylamino]ethanol
PubChem CID114380401
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name2-[(2-amino-4-bromophenyl)methyl-methylamino]ethanol
SMILESCN(CCO)Cc1ccc(Br)cc1N
InChIInChI=1S/C10H15BrN2O/c1-13(4-5-14)7-8-2-3-9(11)6-10(8)12/h2-3,6,14H,4-5,7,12H2,1H3
InChIKeyXLTWFUZFYZATFN-UHFFFAOYSA-N
XLogP1.46
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2-amino-4-bromophenyl)methyl-methylamino]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-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline
CID 81055796
5-bromo-2-[[methyl(2-methylpropyl)amino]methyl]aniline
CID 79712299
5-bromo-2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]aniline
CID 79712715
3-[(2-amino-4-bromophenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 106914748
2-amino-4-bromo-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 43258905
2-[(2-bromo-5-fluorophenyl)methyl-methylamino]ethanol
CID 62020447
3-[(2-amino-4-bromophenyl)methyl-methylamino]phenol
CID 107733874
2-[(3,5-dibromophenyl)methyl-methylamino]ethanol
CID 107972037
5-bromo-2-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]aniline
CID 79712993
5-bromo-2-[(4-ethyl-N-methylanilino)methyl]aniline
CID 79712794
2-[(2-aminoquinolin-3-yl)methyl-methylamino]ethanol
CID 62182083
2-[2-(aminomethyl)-5-bromo-N-methylanilino]ethanol
CID 60961571

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-bromophenyl)methyl-methylamino]ethanol?
The IUPAC name of 2-[(2-amino-4-bromophenyl)methyl-methylamino]ethanol (CID 114380401) is 2-[(2-amino-4-bromophenyl)methyl-methylamino]ethanol.
What is the SMILES notation for 2-[(2-amino-4-bromophenyl)methyl-methylamino]ethanol?
The canonical SMILES for 2-[(2-amino-4-bromophenyl)methyl-methylamino]ethanol is CN(CCO)Cc1ccc(Br)cc1N.
What is the InChIKey of 2-[(2-amino-4-bromophenyl)methyl-methylamino]ethanol?
The InChIKey is XLTWFUZFYZATFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-13(4-5-14)7-8-2-3-9(11)6-10(8)12/h2-3,6,14H,4-5,7,12H2,1H3.
What are the key properties of 2-[(2-amino-4-bromophenyl)methyl-methylamino]ethanol?
2-[(2-amino-4-bromophenyl)methyl-methylamino]ethanol has a molecular weight of 259.15 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-bromophenyl)methyl-methylamino]ethanol is sourced from PubChem (CID 114380401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).