2-[2-(2-bromo-4,6-dimethylphenoxy)ethylamino]ethanol

C12H18BrNO2 — CID 39292056

IUPAC2-[2-(2-bromo-4,6-dimethylphenoxy)ethylamino]ethanol
SMILESCc1cc(C)c(OCCNCCO)c(Br)c1
InChIInChI=1S/C12H18BrNO2/c1-9-7-10(2)12(11(13)8-9)16-6-4-14-3-5-15/h7-8,14-15H,3-6H2,1-2H3
InChIKeyQOZNOKFOOZYLQT-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.03
Rot. Bonds6

About 2-[2-(2-bromo-4,6-dimethylphenoxy)ethylamino]ethanol

2-[2-(2-bromo-4,6-dimethylphenoxy)ethylamino]ethanol (PubChem CID 39292056) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-[2-(2-bromo-4,6-dimethylphenoxy)ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(2-bromo-4,6-dimethylphenoxy)ethylamino]ethanol
PubChem CID39292056
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name2-[2-(2-bromo-4,6-dimethylphenoxy)ethylamino]ethanol
SMILESCc1cc(C)c(OCCNCCO)c(Br)c1
InChIInChI=1S/C12H18BrNO2/c1-9-7-10(2)12(11(13)8-9)16-6-4-14-3-5-15/h7-8,14-15H,3-6H2,1-2H3
InChIKeyQOZNOKFOOZYLQT-UHFFFAOYSA-N
XLogP2.03
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[3-(2-bromo-4,6-dimethylphenoxy)propyl]butan-2-amine
CID 2181907
3-ethoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]propan-1-amine
CID 62598903
N-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]prop-2-en-1-amine;hydrochloride
CID 2994493
1-bromo-2-[2-(4-methoxyphenoxy)ethoxy]-3,5-dimethylbenzene
CID 2283505
3-(2-bromo-6-chloro-4-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine;oxalic acid
CID 2924197
N-[(4-bromothiophen-2-yl)methyl]-2-(2,4,6-trimethylphenoxy)ethanamine
CID 63516198
2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]-N,N-dimethylethanamine
CID 2181881
5-(2,4,6-trimethylphenoxy)pentan-1-ol
CID 62228821
4-(2-bromo-6-chloro-4-methylphenoxy)-N-(3-methoxypropyl)butan-1-amine
CID 2299297
2-(2-bromo-4,6-dimethylphenoxy)ethyl-[(2R)-butan-2-yl]azanium
CID 2181294
N-propyl-4-(2,4,6-trimethylphenoxy)butan-1-amine
CID 62597342
N-[2-(2-bromo-6-chloro-4-methylphenoxy)ethyl]prop-2-en-1-amine;oxalic acid
CID 2924440

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromo-4,6-dimethylphenoxy)ethylamino]ethanol?
The IUPAC name of 2-[2-(2-bromo-4,6-dimethylphenoxy)ethylamino]ethanol (CID 39292056) is 2-[2-(2-bromo-4,6-dimethylphenoxy)ethylamino]ethanol.
What is the SMILES notation for 2-[2-(2-bromo-4,6-dimethylphenoxy)ethylamino]ethanol?
The canonical SMILES for 2-[2-(2-bromo-4,6-dimethylphenoxy)ethylamino]ethanol is Cc1cc(C)c(OCCNCCO)c(Br)c1.
What is the InChIKey of 2-[2-(2-bromo-4,6-dimethylphenoxy)ethylamino]ethanol?
The InChIKey is QOZNOKFOOZYLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-9-7-10(2)12(11(13)8-9)16-6-4-14-3-5-15/h7-8,14-15H,3-6H2,1-2H3.
What are the key properties of 2-[2-(2-bromo-4,6-dimethylphenoxy)ethylamino]ethanol?
2-[2-(2-bromo-4,6-dimethylphenoxy)ethylamino]ethanol has a molecular weight of 288.19 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromo-4,6-dimethylphenoxy)ethylamino]ethanol is sourced from PubChem (CID 39292056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).