2-[(3,5-dibromophenyl)methyl-methylamino]ethanol

C10H13Br2NO — CID 107972037

IUPAC2-[(3,5-dibromophenyl)methyl-methylamino]ethanol
SMILESCN(CCO)Cc1cc(Br)cc(Br)c1
InChIInChI=1S/C10H13Br2NO/c1-13(2-3-14)7-8-4-9(11)6-10(12)5-8/h4-6,14H,2-3,7H2,1H3
InChIKeyQOOAJEGQEGOLTK-UHFFFAOYSA-N
MW323.03 g/mol
LogP2.64
Rot. Bonds4

About 2-[(3,5-dibromophenyl)methyl-methylamino]ethanol

2-[(3,5-dibromophenyl)methyl-methylamino]ethanol (PubChem CID 107972037) has the molecular formula C10H13Br2NO and a molecular weight of 323.03 g/mol. Its IUPAC name is 2-[(3,5-dibromophenyl)methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[(3,5-dibromophenyl)methyl-methylamino]ethanol
PubChem CID107972037
Molecular FormulaC10H13Br2NO
Molecular Weight323.03 g/mol
Exact Mass320.94
IUPAC Name2-[(3,5-dibromophenyl)methyl-methylamino]ethanol
SMILESCN(CCO)Cc1cc(Br)cc(Br)c1
InChIInChI=1S/C10H13Br2NO/c1-13(2-3-14)7-8-4-9(11)6-10(12)5-8/h4-6,14H,2-3,7H2,1H3
InChIKeyQOOAJEGQEGOLTK-UHFFFAOYSA-N
XLogP2.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.03
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(3,5-dibromophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 107972041
2-[(3,4-dibromophenyl)methyl-methylamino]ethanol
CID 115879563
2-[(3-bromo-4-chlorophenyl)methyl-methylamino]ethanol
CID 115903791
3-[(3,5-dibromophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 122046994
N'-[(3-bromo-5-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 79706521
2-[(3-bromo-5-fluorophenyl)methyl-propylamino]ethanol
CID 79673319
2-[(2-bromo-5-fluorophenyl)methyl-methylamino]ethanol
CID 62020447
4-[(3-bromo-5-fluorophenyl)methyl-methylamino]butanoic acid
CID 79701722
2-[(2-amino-4-bromophenyl)methyl-methylamino]ethanol
CID 114380401
2-[(3-amino-5-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 103349937
2-[(4-aminophenyl)methyl-methylamino]ethanol
CID 23507043
2-[(3,5-dibromophenyl)methyl-methylamino]propanoic acid
CID 122036879

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dibromophenyl)methyl-methylamino]ethanol?
The IUPAC name of 2-[(3,5-dibromophenyl)methyl-methylamino]ethanol (CID 107972037) is 2-[(3,5-dibromophenyl)methyl-methylamino]ethanol.
What is the SMILES notation for 2-[(3,5-dibromophenyl)methyl-methylamino]ethanol?
The canonical SMILES for 2-[(3,5-dibromophenyl)methyl-methylamino]ethanol is CN(CCO)Cc1cc(Br)cc(Br)c1.
What is the InChIKey of 2-[(3,5-dibromophenyl)methyl-methylamino]ethanol?
The InChIKey is QOOAJEGQEGOLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO/c1-13(2-3-14)7-8-4-9(11)6-10(12)5-8/h4-6,14H,2-3,7H2,1H3.
What are the key properties of 2-[(3,5-dibromophenyl)methyl-methylamino]ethanol?
2-[(3,5-dibromophenyl)methyl-methylamino]ethanol has a molecular weight of 323.03 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dibromophenyl)methyl-methylamino]ethanol is sourced from PubChem (CID 107972037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).