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

C14H16BrNO2S — CID 23647933

IUPAC1-(4-bromothiophen-2-yl)-2-[(2-methoxyphenyl)methylamino]ethanol
SMILESCOc1ccccc1CNCC(O)c1cc(Br)cs1
InChIInChI=1S/C14H16BrNO2S/c1-18-13-5-3-2-4-10(13)7-16-8-12(17)14-6-11(15)9-19-14/h2-6,9,12,16-17H,7-8H2,1H3
InChIKeyXGIUJJDVZVAUJA-UHFFFAOYSA-N
MW342.26 g/mol
LogP3.34
Rot. Bonds6

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

1-(4-bromothiophen-2-yl)-2-[(2-methoxyphenyl)methylamino]ethanol (PubChem CID 23647933) has the molecular formula C14H16BrNO2S and a molecular weight of 342.26 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-2-[(2-methoxyphenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-2-[(2-methoxyphenyl)methylamino]ethanol
PubChem CID23647933
Molecular FormulaC14H16BrNO2S
Molecular Weight342.26 g/mol
Exact Mass341.01
IUPAC Name1-(4-bromothiophen-2-yl)-2-[(2-methoxyphenyl)methylamino]ethanol
SMILESCOc1ccccc1CNCC(O)c1cc(Br)cs1
InChIInChI=1S/C14H16BrNO2S/c1-18-13-5-3-2-4-10(13)7-16-8-12(17)14-6-11(15)9-19-14/h2-6,9,12,16-17H,7-8H2,1H3
InChIKeyXGIUJJDVZVAUJA-UHFFFAOYSA-N
XLogP3.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-2-[(2-methoxyphenyl)methylamino]ethanol?
The IUPAC name of 1-(4-bromothiophen-2-yl)-2-[(2-methoxyphenyl)methylamino]ethanol (CID 23647933) is 1-(4-bromothiophen-2-yl)-2-[(2-methoxyphenyl)methylamino]ethanol.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-2-[(2-methoxyphenyl)methylamino]ethanol?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-2-[(2-methoxyphenyl)methylamino]ethanol is COc1ccccc1CNCC(O)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-2-[(2-methoxyphenyl)methylamino]ethanol?
The InChIKey is XGIUJJDVZVAUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2S/c1-18-13-5-3-2-4-10(13)7-16-8-12(17)14-6-11(15)9-19-14/h2-6,9,12,16-17H,7-8H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-2-[(2-methoxyphenyl)methylamino]ethanol?
1-(4-bromothiophen-2-yl)-2-[(2-methoxyphenyl)methylamino]ethanol has a molecular weight of 342.26 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-2-[(2-methoxyphenyl)methylamino]ethanol is sourced from PubChem (CID 23647933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).