2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine

C21H26N2O2S — CID 119127575

IUPAC2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
SMILESC#CCOc1ccccc1CNCC(c1ccc(C)s1)N1CCOCC1
InChIInChI=1S/C21H26N2O2S/c1-3-12-25-20-7-5-4-6-18(20)15-22-16-19(21-9-8-17(2)26-21)23-10-13-24-14-11-23/h1,4-9,19,22H,10-16H2,2H3
InChIKeyPIXWYGQPNUXSLL-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.23
Rot. Bonds8

About 2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine

2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine (PubChem CID 119127575) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
PubChem CID119127575
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
SMILESC#CCOc1ccccc1CNCC(c1ccc(C)s1)N1CCOCC1
InChIInChI=1S/C21H26N2O2S/c1-3-12-25-20-7-5-4-6-18(20)15-22-16-19(21-9-8-17(2)26-21)23-10-13-24-14-11-23/h1,4-9,19,22H,10-16H2,2H3
InChIKeyPIXWYGQPNUXSLL-UHFFFAOYSA-N
XLogP3.23
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[2-[[[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide
CID 86903292
(2S)-2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 95751301
2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(2H-triazol-4-ylmethyl)ethanamine
CID 154805489
2-ethyl-N-[(2-prop-2-ynoxyphenyl)methyl]butan-1-amine
CID 115616903
2-methylsulfanyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 113320318
1-benzyl-2-methyl-3-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111965898
1-[(2-prop-2-ynoxyphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110910791
2-methyl-3-[(2-prop-2-ynoxyphenyl)methylamino]propanenitrile
CID 62646548
2-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 43078385
1-ethyl-3-[2-(2-methoxyphenyl)ethyl]-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111966324
1-(oxolan-3-yl)-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 115890011
2-methyl-1-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-3-(2-phenylethyl)guanidine
CID 111966051

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine (CID 119127575) is 2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine is C#CCOc1ccccc1CNCC(c1ccc(C)s1)N1CCOCC1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine?
The InChIKey is PIXWYGQPNUXSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-3-12-25-20-7-5-4-6-18(20)15-22-16-19(21-9-8-17(2)26-21)23-10-13-24-14-11-23/h1,4-9,19,22H,10-16H2,2H3.
What are the key properties of 2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine?
2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine has a molecular weight of 370.52 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 119127575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).