2-(1-benzothiophen-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine

C15H20N2OS — CID 79092573

IUPAC2-(1-benzothiophen-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine
SMILESCN1CCOC(C(N)Cc2csc3ccccc23)C1
InChIInChI=1S/C15H20N2OS/c1-17-6-7-18-14(9-17)13(16)8-11-10-19-15-5-3-2-4-12(11)15/h2-5,10,13-14H,6-9,16H2,1H3
InChIKeyJKZORCGGGOVPRI-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.10
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine

2-(1-benzothiophen-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine (PubChem CID 79092573) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine
PubChem CID79092573
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name2-(1-benzothiophen-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine
SMILESCN1CCOC(C(N)Cc2csc3ccccc23)C1
InChIInChI=1S/C15H20N2OS/c1-17-6-7-18-14(9-17)13(16)8-11-10-19-15-5-3-2-4-12(11)15/h2-5,10,13-14H,6-9,16H2,1H3
InChIKeyJKZORCGGGOVPRI-UHFFFAOYSA-N
XLogP2.10
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylmorpholin-2-yl)-2-naphthalen-1-ylethanamine
CID 79093323
1-(4-methylmorpholin-2-yl)-2-(2-methylphenyl)ethanamine
CID 79093432
2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424756
2-(1-benzothiophen-3-yl)-1-(2-methylcyclopropyl)ethanamine
CID 65420177
2-(furan-2-yl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 83183147
2-(3-bromothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 79093041
2-(1-benzothiophen-3-yl)-1-(oxolan-3-yl)ethanamine
CID 65330130
2-(1-benzothiophen-3-yl)-1-(4-propylcyclohexyl)ethanamine
CID 65423179
2-(1-benzothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 65352423
N-[2-(1-benzothiophen-3-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine
CID 65328369
2-(3,4-difluorophenyl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 82922361
2-(1-benzothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79963628

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine (CID 79092573) is 2-(1-benzothiophen-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine is CN1CCOC(C(N)Cc2csc3ccccc23)C1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine?
The InChIKey is JKZORCGGGOVPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-17-6-7-18-14(9-17)13(16)8-11-10-19-15-5-3-2-4-12(11)15/h2-5,10,13-14H,6-9,16H2,1H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine?
2-(1-benzothiophen-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine has a molecular weight of 276.40 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine is sourced from PubChem (CID 79092573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).