1-(3,4-dimethoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine

C14H17NO2S — CID 43481131

IUPAC1-(3,4-dimethoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine
SMILESCNC(c1ccsc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H17NO2S/c1-15-14(11-6-7-18-9-11)10-4-5-12(16-2)13(8-10)17-3/h4-9,14-15H,1-3H3
InChIKeyGEZNOXCTESZSIF-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.07
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine

1-(3,4-dimethoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine (PubChem CID 43481131) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine
PubChem CID43481131
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name1-(3,4-dimethoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine
SMILESCNC(c1ccsc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H17NO2S/c1-15-14(11-6-7-18-9-11)10-4-5-12(16-2)13(8-10)17-3/h4-9,14-15H,1-3H3
InChIKeyGEZNOXCTESZSIF-UHFFFAOYSA-N
XLogP3.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 62791195
1-(3,4-dimethoxyphenyl)-1-(4-iodophenyl)-N-methylmethanamine
CID 43481161
N-[(3-methoxy-4-methylphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 104988346
2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103717090
N-[(3-chloro-4-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 43494415
1-(3-chloro-5-methylphenyl)-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 81315877
1-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 43481181
N-methyl-1-(2-methyl-4-pyridinyl)-1-thiophen-3-ylmethanamine
CID 106755405
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 104988381
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 107288767
[(2,5-dimethoxyphenyl)-thiophen-3-ylmethyl]hydrazine
CID 105196872
1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81288273

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine (CID 43481131) is 1-(3,4-dimethoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine is CNC(c1ccsc1)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine?
The InChIKey is GEZNOXCTESZSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-15-14(11-6-7-18-9-11)10-4-5-12(16-2)13(8-10)17-3/h4-9,14-15H,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine?
1-(3,4-dimethoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine has a molecular weight of 263.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 43481131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).