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

C15H18BrNO3S — CID 23647935

IUPAC1-(4-bromothiophen-2-yl)-2-[[2-(methoxymethoxy)phenyl]methylamino]ethanol
SMILESCOCOc1ccccc1CNCC(O)c1cc(Br)cs1
InChIInChI=1S/C15H18BrNO3S/c1-19-10-20-14-5-3-2-4-11(14)7-17-8-13(18)15-6-12(16)9-21-15/h2-6,9,13,17-18H,7-8,10H2,1H3
InChIKeyYEDVUUAGCVKYCJ-UHFFFAOYSA-N
MW372.28 g/mol
LogP3.32
Rot. Bonds8

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

1-(4-bromothiophen-2-yl)-2-[[2-(methoxymethoxy)phenyl]methylamino]ethanol (PubChem CID 23647935) 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-(methoxymethoxy)phenyl]methylamino]ethanol.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-2-[[2-(methoxymethoxy)phenyl]methylamino]ethanol
PubChem CID23647935
Molecular FormulaC15H18BrNO3S
Molecular Weight372.28 g/mol
Exact Mass371.02
IUPAC Name1-(4-bromothiophen-2-yl)-2-[[2-(methoxymethoxy)phenyl]methylamino]ethanol
SMILESCOCOc1ccccc1CNCC(O)c1cc(Br)cs1
InChIInChI=1S/C15H18BrNO3S/c1-19-10-20-14-5-3-2-4-11(14)7-17-8-13(18)15-6-12(16)9-21-15/h2-6,9,13,17-18H,7-8,10H2,1H3
InChIKeyYEDVUUAGCVKYCJ-UHFFFAOYSA-N
XLogP3.32
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.28
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-2-[[2-(methoxymethoxy)phenyl]methylamino]ethanol?
The IUPAC name of 1-(4-bromothiophen-2-yl)-2-[[2-(methoxymethoxy)phenyl]methylamino]ethanol (CID 23647935) is 1-(4-bromothiophen-2-yl)-2-[[2-(methoxymethoxy)phenyl]methylamino]ethanol.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-2-[[2-(methoxymethoxy)phenyl]methylamino]ethanol?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-2-[[2-(methoxymethoxy)phenyl]methylamino]ethanol is COCOc1ccccc1CNCC(O)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-2-[[2-(methoxymethoxy)phenyl]methylamino]ethanol?
The InChIKey is YEDVUUAGCVKYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO3S/c1-19-10-20-14-5-3-2-4-11(14)7-17-8-13(18)15-6-12(16)9-21-15/h2-6,9,13,17-18H,7-8,10H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-2-[[2-(methoxymethoxy)phenyl]methylamino]ethanol?
1-(4-bromothiophen-2-yl)-2-[[2-(methoxymethoxy)phenyl]methylamino]ethanol has a molecular weight of 372.28 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-2-[[2-(methoxymethoxy)phenyl]methylamino]ethanol is sourced from PubChem (CID 23647935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).