2-(4-bromo-N,3-dimethylanilino)ethanol

C10H14BrNO — CID 82117999

IUPAC2-(4-bromo-N,3-dimethylanilino)ethanol
SMILESCc1cc(N(C)CCO)ccc1Br
InChIInChI=1S/C10H14BrNO/c1-8-7-9(3-4-10(8)11)12(2)5-6-13/h3-4,7,13H,5-6H2,1-2H3
InChIKeyFQJVLMFNLXEDRI-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.19
Rot. Bonds3

About 2-(4-bromo-N,3-dimethylanilino)ethanol

2-(4-bromo-N,3-dimethylanilino)ethanol (PubChem CID 82117999) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 2-(4-bromo-N,3-dimethylanilino)ethanol.

Molecular Properties

Compound Name2-(4-bromo-N,3-dimethylanilino)ethanol
PubChem CID82117999
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name2-(4-bromo-N,3-dimethylanilino)ethanol
SMILESCc1cc(N(C)CCO)ccc1Br
InChIInChI=1S/C10H14BrNO/c1-8-7-9(3-4-10(8)11)12(2)5-6-13/h3-4,7,13H,5-6H2,1-2H3
InChIKeyFQJVLMFNLXEDRI-UHFFFAOYSA-N
XLogP2.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2-chloroethyl)-N,3-dimethylaniline
CID 82122021
3-(3-bromo-N,4-dimethylanilino)propan-1-ol
CID 82120880
N-(4-bromo-3-methylphenyl)-N-(2-hydroxyethyl)methanesulfonamide
CID 70935045
2-[4-(aminomethyl)-3-bromo-N-methylanilino]ethanol
CID 107274749
2-[(6-bromonaphthalen-2-yl)-methylamino]ethanol
CID 132597175
ethane;2-(3-methoxy-N,4-dimethylanilino)ethanol
CID 144692969
[2-[4-bromo-N-(2-hydroxyethyl)-3-methylanilino]-2-oxoethyl] acetate
CID 70935033
2-[N-methyl-4-(4-methylphenyl)anilino]ethanol
CID 134375637
3-(4-bromo-N,3-dimethylanilino)-2-methylpropanenitrile
CID 82122945
2-[3-bromo-N-methyl-4-(propylaminomethyl)anilino]ethanol
CID 114060727
N-(4-bromo-3-methylphenyl)-2-chloro-N-methylacetamide
CID 82093743
4-bromo-N-(2-hydroxyethyl)-3-methyl-N-propylbenzamide
CID 112706331

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-N,3-dimethylanilino)ethanol?
The IUPAC name of 2-(4-bromo-N,3-dimethylanilino)ethanol (CID 82117999) is 2-(4-bromo-N,3-dimethylanilino)ethanol.
What is the SMILES notation for 2-(4-bromo-N,3-dimethylanilino)ethanol?
The canonical SMILES for 2-(4-bromo-N,3-dimethylanilino)ethanol is Cc1cc(N(C)CCO)ccc1Br.
What is the InChIKey of 2-(4-bromo-N,3-dimethylanilino)ethanol?
The InChIKey is FQJVLMFNLXEDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-8-7-9(3-4-10(8)11)12(2)5-6-13/h3-4,7,13H,5-6H2,1-2H3.
What are the key properties of 2-(4-bromo-N,3-dimethylanilino)ethanol?
2-(4-bromo-N,3-dimethylanilino)ethanol has a molecular weight of 244.13 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-N,3-dimethylanilino)ethanol is sourced from PubChem (CID 82117999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).