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

C20H20BrNO2S — CID 23647941

IUPAC1-(4-bromothiophen-2-yl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol
SMILESOC(CNCc1ccccc1OCc1ccccc1)c1cc(Br)cs1
InChIInChI=1S/C20H20BrNO2S/c21-17-10-20(25-14-17)18(23)12-22-11-16-8-4-5-9-19(16)24-13-15-6-2-1-3-7-15/h1-10,14,18,22-23H,11-13H2
InChIKeyWYXMCHIEHJQNKM-UHFFFAOYSA-N
MW418.36 g/mol
LogP4.91
Rot. Bonds8

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

1-(4-bromothiophen-2-yl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol (PubChem CID 23647941) has the molecular formula C20H20BrNO2S and a molecular weight of 418.36 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol
PubChem CID23647941
Molecular FormulaC20H20BrNO2S
Molecular Weight418.36 g/mol
Exact Mass417.04
IUPAC Name1-(4-bromothiophen-2-yl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol
SMILESOC(CNCc1ccccc1OCc1ccccc1)c1cc(Br)cs1
InChIInChI=1S/C20H20BrNO2S/c21-17-10-20(25-14-17)18(23)12-22-11-16-8-4-5-9-19(16)24-13-15-6-2-1-3-7-15/h1-10,14,18,22-23H,11-13H2
InChIKeyWYXMCHIEHJQNKM-UHFFFAOYSA-N
XLogP4.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.36
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromothiophen-2-yl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol with MolForge

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Related Compounds

2-[2-({[2-(4-Bromothiophen-2-yl)-2-hydroxyethyl]amino}methyl)phenoxy]ethan-1-ol
CID 11574286
1-(4-Bromothiophen-2-yl)-2-{[(2-methoxyphenyl)methyl]amino}ethan-1-ol
CID 23647933
1-(4-Bromothiophen-2-yl)-2-{[(2-phenoxyphenyl)methyl]amino}ethan-1-ol
CID 23647934
1-(4-Bromothiophen-2-yl)-2-({[2-(methoxymethoxy)phenyl]methyl}amino)ethan-1-ol
CID 23647935
2-[2-({[2-(4-Bromothiophen-2-yl)-2-hydroxyethyl]amino}methyl)phenoxy]acetonitrile
CID 23647936
2-({[2-(2-Aminoethoxy)phenyl]methyl}amino)-1-(4-bromothiophen-2-yl)ethan-1-ol
CID 23647937
1-(4-Bromothiophen-2-yl)-2-[({2-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)amino]ethan-1-ol
CID 23647939
1-(4-Bromothiophen-2-yl)-2-({[2-(prop-2-en-1-yloxy)phenyl]methyl}amino)ethan-1-ol
CID 23647940
Ethanolamine, 44
CID 23647942
2-[2-({[2-(4-Bromothiophen-2-yl)-2-hydroxyethyl]amino}methyl)phenoxy]acetamide
CID 23647947
2-[2-({[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]amino}methyl)phenoxy]-N-ethylacetamide
CID 23647948
2-[2-({[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]amino}methyl)phenoxy]-N-[(methylcarbamoyl)methyl]acetamide
CID 23647949

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol?
The IUPAC name of 1-(4-bromothiophen-2-yl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol (CID 23647941) is 1-(4-bromothiophen-2-yl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol is OC(CNCc1ccccc1OCc1ccccc1)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol?
The InChIKey is WYXMCHIEHJQNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrNO2S/c21-17-10-20(25-14-17)18(23)12-22-11-16-8-4-5-9-19(16)24-13-15-6-2-1-3-7-15/h1-10,14,18,22-23H,11-13H2.
What are the key properties of 1-(4-bromothiophen-2-yl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol?
1-(4-bromothiophen-2-yl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol has a molecular weight of 418.36 g/mol, XLogP of 4.91, 8 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-phenylmethoxyphenyl)methylamino]ethanol is sourced from PubChem (CID 23647941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).