1-(4-methoxy-3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine

C16H21NO2S — CID 83056844

IUPAC1-(4-methoxy-3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(OC)c(C)c1)c1cc(OC)cs1
InChIInChI=1S/C16H21NO2S/c1-10-6-12(7-11(2)16(10)19-5)15(17-3)14-8-13(18-4)9-20-14/h6-9,15,17H,1-5H3
InChIKeyOCIIDGMNWPUGAL-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.69
Rot. Bonds5

About 1-(4-methoxy-3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine

1-(4-methoxy-3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine (PubChem CID 83056844) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-(4-methoxy-3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-methoxy-3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
PubChem CID83056844
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name1-(4-methoxy-3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(OC)c(C)c1)c1cc(OC)cs1
InChIInChI=1S/C16H21NO2S/c1-10-6-12(7-11(2)16(10)19-5)15(17-3)14-8-13(18-4)9-20-14/h6-9,15,17H,1-5H3
InChIKeyOCIIDGMNWPUGAL-UHFFFAOYSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-methoxy-3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine (CID 83056844) is 1-(4-methoxy-3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-methoxy-3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-methoxy-3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine is CNC(c1cc(C)c(OC)c(C)c1)c1cc(OC)cs1.
What is the InChIKey of 1-(4-methoxy-3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine?
The InChIKey is OCIIDGMNWPUGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-10-6-12(7-11(2)16(10)19-5)15(17-3)14-8-13(18-4)9-20-14/h6-9,15,17H,1-5H3.
What are the key properties of 1-(4-methoxy-3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine?
1-(4-methoxy-3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine has a molecular weight of 291.42 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 83056844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).