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

C19H19BrN2O2S — CID 23647943

IUPAC1-(4-bromothiophen-2-yl)-2-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]ethanol
SMILESOC(CNCc1ccccc1OCc1ccccn1)c1cc(Br)cs1
InChIInChI=1S/C19H19BrN2O2S/c20-15-9-19(25-13-15)17(23)11-21-10-14-5-1-2-7-18(14)24-12-16-6-3-4-8-22-16/h1-9,13,17,21,23H,10-12H2
InChIKeyOXXWZGNREZXHNZ-UHFFFAOYSA-N
MW419.34 g/mol
LogP4.31
Rot. Bonds8

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

1-(4-bromothiophen-2-yl)-2-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]ethanol (PubChem CID 23647943) has the molecular formula C19H19BrN2O2S and a molecular weight of 419.34 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-2-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]ethanol.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-2-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]ethanol
PubChem CID23647943
Molecular FormulaC19H19BrN2O2S
Molecular Weight419.34 g/mol
Exact Mass418.04
IUPAC Name1-(4-bromothiophen-2-yl)-2-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]ethanol
SMILESOC(CNCc1ccccc1OCc1ccccn1)c1cc(Br)cs1
InChIInChI=1S/C19H19BrN2O2S/c20-15-9-19(25-13-15)17(23)11-21-10-14-5-1-2-7-18(14)24-12-16-6-3-4-8-22-16/h1-9,13,17,21,23H,10-12H2
InChIKeyOXXWZGNREZXHNZ-UHFFFAOYSA-N
XLogP4.31
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.34
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-bromothiophen-2-yl)-2-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]ethanol with MolForge

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Related Compounds

1-(4-Bromothiophen-2-yl)-2-({[2-(pyridin-3-ylmethoxy)phenyl]methyl}amino)ethan-1-ol
CID 23647944
1-(4-Bromothiophen-2-yl)-2-({[2-(pyridin-4-ylmethoxy)phenyl]methyl}amino)ethan-1-ol
CID 23647945
(R)-2-(2-(4-(2-ethylthiazol-4-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
CID 9947512
(R)-2-(2-(4-(2-methylthiazol-4-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
CID 10132882
(R)-2-(2-(4-(2-cyclopentylthiazol-4-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
CID 10136220
(R)-2-(2-(4-(2-phenylthiazol-4-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
CID 10273469
(R)-1-(pyridin-3-yl)-2-(2-(4-(thiazol-4-yl)phenoxy)ethylamino)ethanol
CID 10291064
US10941138, Example 94
CID 135178796
(1R)-1-pyridin-3-yl-2-[2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]ethylamino]ethanol
CID 10112162
2-[2-[4-(4-Methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol
CID 18523634
1-Pyridin-3-yl-2-[2-[4-(2-thiophen-2-yl-1,3-thiazol-4-yl)phenoxy]ethylamino]ethanol
CID 18532887
US10941138, Example 95
CID 146450617

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-2-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]ethanol?
The IUPAC name of 1-(4-bromothiophen-2-yl)-2-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]ethanol (CID 23647943) is 1-(4-bromothiophen-2-yl)-2-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]ethanol.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-2-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]ethanol?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-2-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]ethanol is OC(CNCc1ccccc1OCc1ccccn1)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-2-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]ethanol?
The InChIKey is OXXWZGNREZXHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2S/c20-15-9-19(25-13-15)17(23)11-21-10-14-5-1-2-7-18(14)24-12-16-6-3-4-8-22-16/h1-9,13,17,21,23H,10-12H2.
What are the key properties of 1-(4-bromothiophen-2-yl)-2-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]ethanol?
1-(4-bromothiophen-2-yl)-2-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]ethanol has a molecular weight of 419.34 g/mol, XLogP of 4.31, 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-(pyridin-2-ylmethoxy)phenyl]methylamino]ethanol is sourced from PubChem (CID 23647943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).