1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine

C15H19NO2S — CID 43626732

IUPAC1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine
SMILESCNC(c1cccs1)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C15H19NO2S/c1-10-8-12(17-3)13(18-4)9-11(10)15(16-2)14-6-5-7-19-14/h5-9,15-16H,1-4H3
InChIKeyCNZRPUWZJLTZAX-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.38
Rot. Bonds5

About 1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine

1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine (PubChem CID 43626732) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine
PubChem CID43626732
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine
SMILESCNC(c1cccs1)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C15H19NO2S/c1-10-8-12(17-3)13(18-4)9-11(10)15(16-2)14-6-5-7-19-14/h5-9,15-16H,1-4H3
InChIKeyCNZRPUWZJLTZAX-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43486329
1-(2-methoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43483471
1-(2,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43481960
1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43626718
1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43561402
1-(3-chlorophenyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine
CID 43626747
3-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 87006598
N-methyl-1-(2-methylfuran-3-yl)-1-thiophen-2-ylmethanamine
CID 43483393
N-[thiophen-2-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989890
N-(dithiophen-2-ylmethyl)-2-methoxy-4-methylaniline
CID 60932474
1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine
CID 116961940
N-methyl-1-(5-methylfuran-2-yl)-1-thiophen-2-ylmethanamine
CID 43483383

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine?
The IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine (CID 43626732) is 1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine.
What is the SMILES notation for 1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine?
The canonical SMILES for 1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine is CNC(c1cccs1)c1cc(OC)c(OC)cc1C.
What is the InChIKey of 1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine?
The InChIKey is CNZRPUWZJLTZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-10-8-12(17-3)13(18-4)9-11(10)15(16-2)14-6-5-7-19-14/h5-9,15-16H,1-4H3.
What are the key properties of 1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine?
1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine has a molecular weight of 277.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 43626732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).