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

C15H18BrNO3S — CID 11574286

IUPAC1-(4-bromothiophen-2-yl)-2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethanol
SMILESOCCOc1ccccc1CNCC(O)c1cc(Br)cs1
InChIInChI=1S/C15H18BrNO3S/c16-12-7-15(21-10-12)13(19)9-17-8-11-3-1-2-4-14(11)20-6-5-18/h1-4,7,10,13,17-19H,5-6,8-9H2
InChIKeyHXHQENYKJFZYKN-UHFFFAOYSA-N
MW372.28 g/mol
LogP2.70
Rot. Bonds8

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

1-(4-bromothiophen-2-yl)-2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethanol (PubChem CID 11574286) has the molecular formula C15H18BrNO3S and a molecular weight of 372.28 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethanol.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethanol
PubChem CID11574286
Molecular FormulaC15H18BrNO3S
Molecular Weight372.28 g/mol
Exact Mass371.02
IUPAC Name1-(4-bromothiophen-2-yl)-2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethanol
SMILESOCCOc1ccccc1CNCC(O)c1cc(Br)cs1
InChIInChI=1S/C15H18BrNO3S/c16-12-7-15(21-10-12)13(19)9-17-8-11-3-1-2-4-14(11)20-6-5-18/h1-4,7,10,13,17-19H,5-6,8-9H2
InChIKeyHXHQENYKJFZYKN-UHFFFAOYSA-N
XLogP2.70
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.28
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethanol?
The IUPAC name of 1-(4-bromothiophen-2-yl)-2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethanol (CID 11574286) is 1-(4-bromothiophen-2-yl)-2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethanol.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethanol?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethanol is OCCOc1ccccc1CNCC(O)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethanol?
The InChIKey is HXHQENYKJFZYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO3S/c16-12-7-15(21-10-12)13(19)9-17-8-11-3-1-2-4-14(11)20-6-5-18/h1-4,7,10,13,17-19H,5-6,8-9H2.
What are the key properties of 1-(4-bromothiophen-2-yl)-2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethanol?
1-(4-bromothiophen-2-yl)-2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethanol has a molecular weight of 372.28 g/mol, XLogP of 2.70, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethanol is sourced from PubChem (CID 11574286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).