2-[(3,4-dibromophenyl)methyl-methylamino]ethanol

C10H13Br2NO — CID 115879563

IUPAC2-[(3,4-dibromophenyl)methyl-methylamino]ethanol
SMILESCN(CCO)Cc1ccc(Br)c(Br)c1
InChIInChI=1S/C10H13Br2NO/c1-13(4-5-14)7-8-2-3-9(11)10(12)6-8/h2-3,6,14H,4-5,7H2,1H3
InChIKeyPURKKLQKJMAAKT-UHFFFAOYSA-N
MW323.03 g/mol
LogP2.64
Rot. Bonds4

About 2-[(3,4-dibromophenyl)methyl-methylamino]ethanol

2-[(3,4-dibromophenyl)methyl-methylamino]ethanol (PubChem CID 115879563) has the molecular formula C10H13Br2NO and a molecular weight of 323.03 g/mol. Its IUPAC name is 2-[(3,4-dibromophenyl)methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[(3,4-dibromophenyl)methyl-methylamino]ethanol
PubChem CID115879563
Molecular FormulaC10H13Br2NO
Molecular Weight323.03 g/mol
Exact Mass320.94
IUPAC Name2-[(3,4-dibromophenyl)methyl-methylamino]ethanol
SMILESCN(CCO)Cc1ccc(Br)c(Br)c1
InChIInChI=1S/C10H13Br2NO/c1-13(4-5-14)7-8-2-3-9(11)10(12)6-8/h2-3,6,14H,4-5,7H2,1H3
InChIKeyPURKKLQKJMAAKT-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

2-[(3-bromo-4-chlorophenyl)methyl-methylamino]ethanol
CID 115903791
2-[(3,4-dibromophenyl)methyl-propylamino]ethanol
CID 115880013
2-[(2-bromo-5-fluorophenyl)methyl-methylamino]ethanol
CID 62020447
2-[(3,5-dibromophenyl)methyl-methylamino]ethanol
CID 107972037
2-[(4-aminophenyl)methyl-methylamino]ethanol
CID 23507043
2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride
CID 2963067
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]ethanol
CID 115216225
2-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]ethanol
CID 110921350
2-[methyl-[(4-phenylphenyl)methyl]amino]ethanol
CID 60683589
2-[[2-(aminomethyl)-4-pyridinyl]methyl-methylamino]ethanol
CID 63888237
2-[2-[(4-bromo-3-nitrophenyl)methyl-methylamino]ethoxy]ethanol
CID 114243049
N'-[(4-bromo-3-fluorophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 81436013

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dibromophenyl)methyl-methylamino]ethanol?
The IUPAC name of 2-[(3,4-dibromophenyl)methyl-methylamino]ethanol (CID 115879563) is 2-[(3,4-dibromophenyl)methyl-methylamino]ethanol.
What is the SMILES notation for 2-[(3,4-dibromophenyl)methyl-methylamino]ethanol?
The canonical SMILES for 2-[(3,4-dibromophenyl)methyl-methylamino]ethanol is CN(CCO)Cc1ccc(Br)c(Br)c1.
What is the InChIKey of 2-[(3,4-dibromophenyl)methyl-methylamino]ethanol?
The InChIKey is PURKKLQKJMAAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO/c1-13(4-5-14)7-8-2-3-9(11)10(12)6-8/h2-3,6,14H,4-5,7H2,1H3.
What are the key properties of 2-[(3,4-dibromophenyl)methyl-methylamino]ethanol?
2-[(3,4-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-[(3,4-dibromophenyl)methyl-methylamino]ethanol is sourced from PubChem (CID 115879563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).