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

C11H16BrNO2 — CID 784350

IUPAC2-[(4-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)Cc1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO2/c12-11-3-1-10(2-4-11)9-13(5-7-14)6-8-15/h1-4,14-15H,5-9H2
InChIKeyYOYHVMIRZKMMPG-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.24
Rot. Bonds6

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

2-[(4-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 784350) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol
PubChem CID784350
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name2-[(4-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)Cc1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO2/c12-11-3-1-10(2-4-11)9-13(5-7-14)6-8-15/h1-4,14-15H,5-9H2
InChIKeyYOYHVMIRZKMMPG-UHFFFAOYSA-N
XLogP1.24
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride
CID 2845478
2-[(4-bromophenyl)methyl-(2-phenylethyl)amino]ethanol
CID 86942997
2-[(4-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107484838
2-[(3,4-dibromophenyl)methyl-propylamino]ethanol
CID 115880013
2-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]acetamide
CID 144663757
N-[(4-bromophenyl)methyl]-N-undecylundecan-1-amine
CID 6426449
2-[(3-amino-5-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 103349937
2-[(4-fluorophenyl)methyl-propylamino]ethanol
CID 783658
2-[ethyl-[(4-ethylphenyl)methyl]amino]ethanol
CID 62021239
4-[[bis(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide
CID 111487813
2-[[4-(4-ethenylphenyl)phenyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 23569814
2-[(3,4-diaminophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 94810816

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(4-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol (CID 784350) is 2-[(4-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(4-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is YOYHVMIRZKMMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c12-11-3-1-10(2-4-11)9-13(5-7-14)6-8-15/h1-4,14-15H,5-9H2.
What are the key properties of 2-[(4-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol?
2-[(4-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 274.16 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 784350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).