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

C14H22BrClN2OS — CID 102840074

IUPAC2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine
SMILESCC1(C)CN(C(CN)c2cc(Br)c(Cl)s2)CC(C)(C)O1
InChIInChI=1S/C14H22BrClN2OS/c1-13(2)7-18(8-14(3,4)19-13)10(6-17)11-5-9(15)12(16)20-11/h5,10H,6-8,17H2,1-4H3
InChIKeyVXHAZFJDSRQGBT-UHFFFAOYSA-N
MW381.77 g/mol
LogP4.05
Rot. Bonds3

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

2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine (PubChem CID 102840074) has the molecular formula C14H22BrClN2OS and a molecular weight of 381.77 g/mol. Its IUPAC name is 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine
PubChem CID102840074
Molecular FormulaC14H22BrClN2OS
Molecular Weight381.77 g/mol
Exact Mass380.03
IUPAC Name2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine
SMILESCC1(C)CN(C(CN)c2cc(Br)c(Cl)s2)CC(C)(C)O1
InChIInChI=1S/C14H22BrClN2OS/c1-13(2)7-18(8-14(3,4)19-13)10(6-17)11-5-9(15)12(16)20-11/h5,10H,6-8,17H2,1-4H3
InChIKeyVXHAZFJDSRQGBT-UHFFFAOYSA-N
XLogP4.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.77
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine with MolForge

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Related Compounds

2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
CID 102838938
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-(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-(3,5-dichlorophenyl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine
CID 102743193
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
CID 102839158
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 102839070
2-(4-bromo-5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 102838082
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-(2-methylpyrrolidin-1-yl)ethanamine
CID 102838519
2-(4-bromo-5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586432

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine?
The IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine (CID 102840074) is 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine is CC1(C)CN(C(CN)c2cc(Br)c(Cl)s2)CC(C)(C)O1.
What is the InChIKey of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine?
The InChIKey is VXHAZFJDSRQGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrClN2OS/c1-13(2)7-18(8-14(3,4)19-13)10(6-17)11-5-9(15)12(16)20-11/h5,10H,6-8,17H2,1-4H3.
What are the key properties of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine?
2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine has a molecular weight of 381.77 g/mol, XLogP of 4.05, 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-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine is sourced from PubChem (CID 102840074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).