2-[(3-amino-5-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol

C11H17BrN2O2 — CID 103349937

IUPAC2-[(3-amino-5-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol
SMILESNc1cc(Br)cc(CN(CCO)CCO)c1
InChIInChI=1S/C11H17BrN2O2/c12-10-5-9(6-11(13)7-10)8-14(1-3-15)2-4-16/h5-7,15-16H,1-4,8,13H2
InChIKeyIRFILPMUHQDAKS-UHFFFAOYSA-N
MW289.17 g/mol
LogP0.82
Rot. Bonds6

About 2-[(3-amino-5-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol

2-[(3-amino-5-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 103349937) has the molecular formula C11H17BrN2O2 and a molecular weight of 289.17 g/mol. Its IUPAC name is 2-[(3-amino-5-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-amino-5-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol
PubChem CID103349937
Molecular FormulaC11H17BrN2O2
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC Name2-[(3-amino-5-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol
SMILESNc1cc(Br)cc(CN(CCO)CCO)c1
InChIInChI=1S/C11H17BrN2O2/c12-10-5-9(6-11(13)7-10)8-14(1-3-15)2-4-16/h5-7,15-16H,1-4,8,13H2
InChIKeyIRFILPMUHQDAKS-UHFFFAOYSA-N
XLogP0.82
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3-amino-5-bromophenyl)methyl-(2-hydroxyethyl)amino]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

3-[[bis(3-methylbutyl)amino]methyl]-5-bromoaniline
CID 107869315
N'-[(3-amino-5-bromophenyl)methyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102994556
2-[(3-bromo-5-fluorophenyl)methyl-propylamino]ethanol
CID 79673319
2-[(4-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 784350
2-[(3,4-diaminophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 94810816
2-[(3,5-dibromophenyl)methyl-methylamino]ethanol
CID 107972037
2-[(5-bromo-3-pyridinyl)methyl-butylamino]ethanol
CID 115586341
3-bromo-5-(2,2,2-trifluoroethyl)aniline
CID 20616110
2-[(3,4-dibromophenyl)methyl-propylamino]ethanol
CID 115880013
2-[benzyl-[(5-bromo-3-pyridinyl)methyl]amino]ethanol
CID 115610793
2-[(4-bromophenyl)methyl-(2-phenylethyl)amino]ethanol
CID 86942997
2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride
CID 2845478

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-5-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(3-amino-5-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol (CID 103349937) is 2-[(3-amino-5-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(3-amino-5-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(3-amino-5-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol is Nc1cc(Br)cc(CN(CCO)CCO)c1.
What is the InChIKey of 2-[(3-amino-5-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is IRFILPMUHQDAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2/c12-10-5-9(6-11(13)7-10)8-14(1-3-15)2-4-16/h5-7,15-16H,1-4,8,13H2.
What are the key properties of 2-[(3-amino-5-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol?
2-[(3-amino-5-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 289.17 g/mol, XLogP of 0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-5-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 103349937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).