1-(4-bromothiophen-2-yl)-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methylamino]ethanol

C19H25BrN2O3S — CID 23647939

IUPAC1-(4-bromothiophen-2-yl)-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methylamino]ethanol
SMILESOC(CNCc1ccccc1OCCN1CCOCC1)c1cc(Br)cs1
InChIInChI=1S/C19H25BrN2O3S/c20-16-11-19(26-14-16)17(23)13-21-12-15-3-1-2-4-18(15)25-10-7-22-5-8-24-9-6-22/h1-4,11,14,17,21,23H,5-10,12-13H2
InChIKeyLNYWDHPWDZWQMF-UHFFFAOYSA-N
MW441.39 g/mol
LogP3.04
Rot. Bonds9

About 1-(4-bromothiophen-2-yl)-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methylamino]ethanol

1-(4-bromothiophen-2-yl)-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methylamino]ethanol (PubChem CID 23647939) has the molecular formula C19H25BrN2O3S and a molecular weight of 441.39 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methylamino]ethanol.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methylamino]ethanol
PubChem CID23647939
Molecular FormulaC19H25BrN2O3S
Molecular Weight441.39 g/mol
Exact Mass440.08
IUPAC Name1-(4-bromothiophen-2-yl)-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methylamino]ethanol
SMILESOC(CNCc1ccccc1OCCN1CCOCC1)c1cc(Br)cs1
InChIInChI=1S/C19H25BrN2O3S/c20-16-11-19(26-14-16)17(23)13-21-12-15-3-1-2-4-18(15)25-10-7-22-5-8-24-9-6-22/h1-4,11,14,17,21,23H,5-10,12-13H2
InChIKeyLNYWDHPWDZWQMF-UHFFFAOYSA-N
XLogP3.04
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.39
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methylamino]ethanol?
The IUPAC name of 1-(4-bromothiophen-2-yl)-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methylamino]ethanol (CID 23647939) is 1-(4-bromothiophen-2-yl)-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methylamino]ethanol.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methylamino]ethanol?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methylamino]ethanol is OC(CNCc1ccccc1OCCN1CCOCC1)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methylamino]ethanol?
The InChIKey is LNYWDHPWDZWQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN2O3S/c20-16-11-19(26-14-16)17(23)13-21-12-15-3-1-2-4-18(15)25-10-7-22-5-8-24-9-6-22/h1-4,11,14,17,21,23H,5-10,12-13H2.
What are the key properties of 1-(4-bromothiophen-2-yl)-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methylamino]ethanol?
1-(4-bromothiophen-2-yl)-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methylamino]ethanol has a molecular weight of 441.39 g/mol, XLogP of 3.04, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methylamino]ethanol is sourced from PubChem (CID 23647939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).