2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine

C20H25N3OS — CID 46996422

IUPAC2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine
SMILESCOCCN(Cc1ccccc1Cn1cccn1)Cc1sccc1C
InChIInChI=1S/C20H25N3OS/c1-17-8-13-25-20(17)16-22(11-12-24-2)14-18-6-3-4-7-19(18)15-23-10-5-9-21-23/h3-10,13H,11-12,14-16H2,1-2H3
InChIKeyRGOPNEFULONDHS-UHFFFAOYSA-N
MW355.51 g/mol
LogP3.95
Rot. Bonds9

About 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine

2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine (PubChem CID 46996422) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine
PubChem CID46996422
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine
SMILESCOCCN(Cc1ccccc1Cn1cccn1)Cc1sccc1C
InChIInChI=1S/C20H25N3OS/c1-17-8-13-25-20(17)16-22(11-12-24-2)14-18-6-3-4-7-19(18)15-23-10-5-9-21-23/h3-10,13H,11-12,14-16H2,1-2H3
InChIKeyRGOPNEFULONDHS-UHFFFAOYSA-N
XLogP3.95
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine with MolForge

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Related Compounds

2-[[2-methoxyethyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]benzoic acid
CID 46988014
2-methoxy-5-[[2-methoxyethyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]benzoic acid
CID 46984935
N,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 46989448
1-[(3-fluorothiophen-2-yl)methyl]pyrazole
CID 141287281
1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94101998
N-[(3-methylthiophen-2-yl)methyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 50956025
4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 41419379
2-methoxy-N-(2-methoxyethyl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 78807389
N'-benzyl-N'-[(3-methylthiophen-2-yl)methyl]propane-1,3-diamine
CID 107364753
1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111851951
3-methoxy-N,N-bis(pyrazol-1-ylmethyl)propan-1-amine
CID 102144249
1-[(2-chlorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrazole-4-carboxamide
CID 51272609

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine (CID 46996422) is 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine is COCCN(Cc1ccccc1Cn1cccn1)Cc1sccc1C.
What is the InChIKey of 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine?
The InChIKey is RGOPNEFULONDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-17-8-13-25-20(17)16-22(11-12-24-2)14-18-6-3-4-7-19(18)15-23-10-5-9-21-23/h3-10,13H,11-12,14-16H2,1-2H3.
What are the key properties of 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine?
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine has a molecular weight of 355.51 g/mol, XLogP of 3.95, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 46996422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).