1-[4-[(5-methylthiophen-2-yl)methyl]morpholin-2-yl]ethanamine

C12H20N2OS — CID 115315061

IUPAC1-[4-[(5-methylthiophen-2-yl)methyl]morpholin-2-yl]ethanamine
SMILESCc1ccc(CN2CCOC(C(C)N)C2)s1
InChIInChI=1S/C12H20N2OS/c1-9-3-4-11(16-9)7-14-5-6-15-12(8-14)10(2)13/h3-4,10,12H,5-8,13H2,1-2H3
InChIKeyXHCLPVUAYUWQTQ-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.60
Rot. Bonds3

About 1-[4-[(5-methylthiophen-2-yl)methyl]morpholin-2-yl]ethanamine

1-[4-[(5-methylthiophen-2-yl)methyl]morpholin-2-yl]ethanamine (PubChem CID 115315061) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-[4-[(5-methylthiophen-2-yl)methyl]morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-[(5-methylthiophen-2-yl)methyl]morpholin-2-yl]ethanamine
PubChem CID115315061
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1-[4-[(5-methylthiophen-2-yl)methyl]morpholin-2-yl]ethanamine
SMILESCc1ccc(CN2CCOC(C(C)N)C2)s1
InChIInChI=1S/C12H20N2OS/c1-9-3-4-11(16-9)7-14-5-6-15-12(8-14)10(2)13/h3-4,10,12H,5-8,13H2,1-2H3
InChIKeyXHCLPVUAYUWQTQ-UHFFFAOYSA-N
XLogP1.60
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine
CID 95396414
1-[4-[(4-fluorophenyl)methyl]morpholin-2-yl]ethanamine
CID 81491103
1-[4-[(5-bromofuran-2-yl)methyl]morpholin-2-yl]ethanamine
CID 115314919
1-[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]ethanamine
CID 81490139
1-[4-[(3-fluoro-4-methylphenyl)methyl]morpholin-2-yl]ethanamine
CID 113284985
(2R)-4-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-ylmorpholine
CID 125003279
1-[4-[(1,3-dimethylindol-2-yl)methyl]morpholin-2-yl]ethanamine
CID 107236440
1-[4-[(4-nitrophenyl)methyl]morpholin-2-yl]ethanamine
CID 81491183
1-[4-[(4-bromo-3-chlorophenyl)methyl]morpholin-2-yl]ethanamine
CID 114077089
1-(4-propylmorpholin-2-yl)ethanamine
CID 79658084
1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholin-2-yl]ethanamine
CID 81490860
1-[4-[(4-chloro-2-pyridinyl)methyl]morpholin-2-yl]ethanamine
CID 115315468

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-methylthiophen-2-yl)methyl]morpholin-2-yl]ethanamine?
The IUPAC name of 1-[4-[(5-methylthiophen-2-yl)methyl]morpholin-2-yl]ethanamine (CID 115315061) is 1-[4-[(5-methylthiophen-2-yl)methyl]morpholin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-[(5-methylthiophen-2-yl)methyl]morpholin-2-yl]ethanamine?
The canonical SMILES for 1-[4-[(5-methylthiophen-2-yl)methyl]morpholin-2-yl]ethanamine is Cc1ccc(CN2CCOC(C(C)N)C2)s1.
What is the InChIKey of 1-[4-[(5-methylthiophen-2-yl)methyl]morpholin-2-yl]ethanamine?
The InChIKey is XHCLPVUAYUWQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9-3-4-11(16-9)7-14-5-6-15-12(8-14)10(2)13/h3-4,10,12H,5-8,13H2,1-2H3.
What are the key properties of 1-[4-[(5-methylthiophen-2-yl)methyl]morpholin-2-yl]ethanamine?
1-[4-[(5-methylthiophen-2-yl)methyl]morpholin-2-yl]ethanamine has a molecular weight of 240.37 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-methylthiophen-2-yl)methyl]morpholin-2-yl]ethanamine is sourced from PubChem (CID 115315061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).