1-(2,4-dimethoxyphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine

C16H21NO2S — CID 81156413

IUPAC1-(2,4-dimethoxyphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)cc1OC)c1sc(C)cc1C
InChIInChI=1S/C16H21NO2S/c1-10-8-11(2)20-16(10)15(17-3)13-7-6-12(18-4)9-14(13)19-5/h6-9,15,17H,1-5H3
InChIKeyWEWJRTVNDOVWOB-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.69
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine

1-(2,4-dimethoxyphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine (PubChem CID 81156413) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
PubChem CID81156413
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name1-(2,4-dimethoxyphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)cc1OC)c1sc(C)cc1C
InChIInChI=1S/C16H21NO2S/c1-10-8-11(2)20-16(10)15(17-3)13-7-6-12(18-4)9-14(13)19-5/h6-9,15,17H,1-5H3
InChIKeyWEWJRTVNDOVWOB-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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Related Compounds

(2,4-dimethoxyphenyl)-(3,5-dimethylthiophen-2-yl)methanamine
CID 81156141
1-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 43482669
1-(2,4-dimethoxyphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 114819922
1-(4-methoxy-2-methylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81127903
1-(3-chloro-4-methylphenyl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 63194662
1-(2-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 81155894
1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 81155754
(3-bromo-5-methylthiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 65279816
1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 80531246
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
1-(2,4-dimethoxyphenyl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
CID 63555606
1-(2,4-dimethoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 79212518

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine (CID 81156413) is 1-(2,4-dimethoxyphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine is CNC(c1ccc(OC)cc1OC)c1sc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine?
The InChIKey is WEWJRTVNDOVWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-10-8-11(2)20-16(10)15(17-3)13-7-6-12(18-4)9-14(13)19-5/h6-9,15,17H,1-5H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine?
1-(2,4-dimethoxyphenyl)-1-(3,5-dimethylthiophen-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-(2,4-dimethoxyphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 81156413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).