2-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine

C14H21N3OS — CID 46984738

IUPAC2-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCOCCN(Cc1sccc1C)Cc1nccn1C
InChIInChI=1S/C14H21N3OS/c1-12-4-9-19-13(12)10-17(7-8-18-3)11-14-15-5-6-16(14)2/h4-6,9H,7-8,10-11H2,1-3H3
InChIKeyVPPXIVCJPGDVRS-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.44
Rot. Bonds7

About 2-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine

2-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 46984738) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine
PubChem CID46984738
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCOCCN(Cc1sccc1C)Cc1nccn1C
InChIInChI=1S/C14H21N3OS/c1-12-4-9-19-13(12)10-17(7-8-18-3)11-14-15-5-6-16(14)2/h4-6,9H,7-8,10-11H2,1-3H3
InChIKeyVPPXIVCJPGDVRS-UHFFFAOYSA-N
XLogP2.44
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine (CID 46984738) is 2-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine is COCCN(Cc1sccc1C)Cc1nccn1C.
What is the InChIKey of 2-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is VPPXIVCJPGDVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-12-4-9-19-13(12)10-17(7-8-18-3)11-14-15-5-6-16(14)2/h4-6,9H,7-8,10-11H2,1-3H3.
What are the key properties of 2-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
2-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 279.41 g/mol, XLogP of 2.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 46984738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).