2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine

C13H20BrClN2OS — CID 102838938

IUPAC2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
SMILESCC1CN(C(CN)c2cc(Br)c(Cl)s2)CC(C)(C)O1
InChIInChI=1S/C13H20BrClN2OS/c1-8-6-17(7-13(2,3)18-8)10(5-16)11-4-9(14)12(15)19-11/h4,8,10H,5-7,16H2,1-3H3
InChIKeyJAYVLQRWDDFXPK-UHFFFAOYSA-N
MW367.74 g/mol
LogP3.66
Rot. Bonds3

About 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine

2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine (PubChem CID 102838938) has the molecular formula C13H20BrClN2OS and a molecular weight of 367.74 g/mol. Its IUPAC name is 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
PubChem CID102838938
Molecular FormulaC13H20BrClN2OS
Molecular Weight367.74 g/mol
Exact Mass366.02
IUPAC Name2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
SMILESCC1CN(C(CN)c2cc(Br)c(Cl)s2)CC(C)(C)O1
InChIInChI=1S/C13H20BrClN2OS/c1-8-6-17(7-13(2,3)18-8)10(5-16)11-4-9(14)12(15)19-11/h4,8,10H,5-7,16H2,1-3H3
InChIKeyJAYVLQRWDDFXPK-UHFFFAOYSA-N
XLogP3.66
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.74
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine
CID 102840074
2-(3-bromo-4-chlorophenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
CID 83230609
2-(4-bromo-5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 102838082
2-(4,5-dibromothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 102840044
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 102839252
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
CID 102839181
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 102838072
2-(3-chloro-4-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
CID 106817369
2-(4-bromo-5-chlorothiophen-2-yl)-2-(3,3-diethylpyrrolidin-1-yl)ethanamine
CID 102839732
2-(4-bromo-5-chlorothiophen-2-yl)-2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethanamine
CID 107454245
2-(4-bromo-5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586432
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 102839070

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine?
The IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine (CID 102838938) is 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine is CC1CN(C(CN)c2cc(Br)c(Cl)s2)CC(C)(C)O1.
What is the InChIKey of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine?
The InChIKey is JAYVLQRWDDFXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrClN2OS/c1-8-6-17(7-13(2,3)18-8)10(5-16)11-4-9(14)12(15)19-11/h4,8,10H,5-7,16H2,1-3H3.
What are the key properties of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine?
2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine has a molecular weight of 367.74 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine is sourced from PubChem (CID 102838938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).