1-(2-methoxy-5-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)sulfanylethanamine

C15H21N3OS — CID 64619425

IUPAC1-(2-methoxy-5-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)sulfanylethanamine
SMILESCNC(CSc1nccn1C)c1cc(C)ccc1OC
InChIInChI=1S/C15H21N3OS/c1-11-5-6-14(19-4)12(9-11)13(16-2)10-20-15-17-7-8-18(15)3/h5-9,13,16H,10H2,1-4H3
InChIKeyWLAUDWSVIWHEEF-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.79
Rot. Bonds6

About 1-(2-methoxy-5-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)sulfanylethanamine

1-(2-methoxy-5-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)sulfanylethanamine (PubChem CID 64619425) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)sulfanylethanamine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)sulfanylethanamine
PubChem CID64619425
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name1-(2-methoxy-5-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)sulfanylethanamine
SMILESCNC(CSc1nccn1C)c1cc(C)ccc1OC
InChIInChI=1S/C15H21N3OS/c1-11-5-6-14(19-4)12(9-11)13(16-2)10-20-15-17-7-8-18(15)3/h5-9,13,16H,10H2,1-4H3
InChIKeyWLAUDWSVIWHEEF-UHFFFAOYSA-N
XLogP2.79
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 64650228
1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine
CID 43626227
2-butan-2-ylsulfanyl-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 64612602
3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 62797159
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylpropylsulfanyl)ethanamine
CID 64610705
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
CID 64648413
1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 64649533
1-(2-methoxy-5-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049774
N',N'-diethyl-1-(2-methoxy-5-methylphenyl)-N-methylpropane-1,3-diamine
CID 79087818
1-(2-methoxy-5-methylphenyl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848296
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 82771709
N-methyl-1-[2-(1-methylimidazol-2-yl)sulfanylphenyl]propan-1-amine
CID 112678538

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)sulfanylethanamine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)sulfanylethanamine (CID 64619425) is 1-(2-methoxy-5-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)sulfanylethanamine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)sulfanylethanamine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)sulfanylethanamine is CNC(CSc1nccn1C)c1cc(C)ccc1OC.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)sulfanylethanamine?
The InChIKey is WLAUDWSVIWHEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-11-5-6-14(19-4)12(9-11)13(16-2)10-20-15-17-7-8-18(15)3/h5-9,13,16H,10H2,1-4H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)sulfanylethanamine?
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)sulfanylethanamine has a molecular weight of 291.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)sulfanylethanamine is sourced from PubChem (CID 64619425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).