2-(2-bromo-4,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanol

C14H23BrN2O3 — CID 61056542

IUPAC2-(2-bromo-4,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanol
SMILESCOc1cc(Br)c(C(CO)NCCN(C)C)cc1OC
InChIInChI=1S/C14H23BrN2O3/c1-17(2)6-5-16-12(9-18)10-7-13(19-3)14(20-4)8-11(10)15/h7-8,12,16,18H,5-6,9H2,1-4H3
InChIKeyMQUUQINBZQWWGO-UHFFFAOYSA-N
MW347.25 g/mol
LogP1.65
Rot. Bonds8

About 2-(2-bromo-4,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanol

2-(2-bromo-4,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanol (PubChem CID 61056542) has the molecular formula C14H23BrN2O3 and a molecular weight of 347.25 g/mol. Its IUPAC name is 2-(2-bromo-4,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanol.

Molecular Properties

Compound Name2-(2-bromo-4,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanol
PubChem CID61056542
Molecular FormulaC14H23BrN2O3
Molecular Weight347.25 g/mol
Exact Mass346.09
IUPAC Name2-(2-bromo-4,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanol
SMILESCOc1cc(Br)c(C(CO)NCCN(C)C)cc1OC
InChIInChI=1S/C14H23BrN2O3/c1-17(2)6-5-16-12(9-18)10-7-13(19-3)14(20-4)8-11(10)15/h7-8,12,16,18H,5-6,9H2,1-4H3
InChIKeyMQUUQINBZQWWGO-UHFFFAOYSA-N
XLogP1.65
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(dimethylamino)ethylamino]-2-(4-methoxy-3-methylphenyl)ethanol
CID 62132457
1-(2-bromo-4,5-dimethoxyphenyl)-N-propylethane-1,2-diamine
CID 62066577
2-(4-bromo-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 66480263
2-(3-bromothiophen-2-yl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 115381058
2-(2-bromo-4,5-dimethoxyphenyl)-2-(cyclohexylamino)ethanol
CID 61047473
(2S)-2-amino-2-(2-bromo-4,5-dimethoxyphenyl)ethanol;hydrochloride
CID 171198902
2-(5-bromo-2-methoxyphenyl)-2-(2-hydroxyethylamino)ethanol
CID 66490760
2-[2-(dimethylamino)ethylamino]-2-(6-methoxynaphthalen-2-yl)ethanol
CID 61055334
1-(2-bromo-4,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
CID 62065826
2-(3,5-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 61056763
2-[2-(diethylamino)ethylamino]-2-(2,4-dimethoxyphenyl)ethanol
CID 61048021
N-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 65385216

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanol?
The IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanol (CID 61056542) is 2-(2-bromo-4,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanol.
What is the SMILES notation for 2-(2-bromo-4,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanol?
The canonical SMILES for 2-(2-bromo-4,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanol is COc1cc(Br)c(C(CO)NCCN(C)C)cc1OC.
What is the InChIKey of 2-(2-bromo-4,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanol?
The InChIKey is MQUUQINBZQWWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O3/c1-17(2)6-5-16-12(9-18)10-7-13(19-3)14(20-4)8-11(10)15/h7-8,12,16,18H,5-6,9H2,1-4H3.
What are the key properties of 2-(2-bromo-4,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanol?
2-(2-bromo-4,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanol has a molecular weight of 347.25 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanol is sourced from PubChem (CID 61056542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).