(2,5-dimethoxyphenyl)-thiophen-3-ylmethanamine

C13H15NO2S — CID 43464043

IUPAC(2,5-dimethoxyphenyl)-thiophen-3-ylmethanamine
SMILESCOc1ccc(OC)c(C(N)c2ccsc2)c1
InChIInChI=1S/C13H15NO2S/c1-15-10-3-4-12(16-2)11(7-10)13(14)9-5-6-17-8-9/h3-8,13H,14H2,1-2H3
InChIKeyLLCBDVAOQCEBKO-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.81
Rot. Bonds4

About (2,5-dimethoxyphenyl)-thiophen-3-ylmethanamine

(2,5-dimethoxyphenyl)-thiophen-3-ylmethanamine (PubChem CID 43464043) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-thiophen-3-ylmethanamine
PubChem CID43464043
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name(2,5-dimethoxyphenyl)-thiophen-3-ylmethanamine
SMILESCOc1ccc(OC)c(C(N)c2ccsc2)c1
InChIInChI=1S/C13H15NO2S/c1-15-10-3-4-12(16-2)11(7-10)13(14)9-5-6-17-8-9/h3-8,13H,14H2,1-2H3
InChIKeyLLCBDVAOQCEBKO-UHFFFAOYSA-N
XLogP2.81
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2,5-dimethoxyphenyl)-thiophen-3-ylmethyl]hydrazine
CID 105196872
2-[(R)-amino(thiophen-3-yl)methyl]-4-methoxyphenol;hydrochloride
CID 171222266
(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43197203
(4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanamine
CID 43626602
(S)-thiophen-3-yl-(2,4,6-trimethoxyphenyl)methanamine;hydrochloride
CID 171201055
4-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol
CID 171220300
(R)-(2-bromo-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine
CID 171198892
(R)-(6-methoxynaphthalen-2-yl)-thiophen-3-ylmethanamine;hydrochloride
CID 171218929
(2,5-dimethoxyphenyl)-(4-iodophenyl)methanamine
CID 43124868
(S)-(4-fluoro-2-methoxyphenyl)-thiophen-3-ylmethanamine
CID 171205336
(S)-(3,5-dimethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171199673
(R)-[2-methoxy-4-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171236225

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-thiophen-3-ylmethanamine?
The IUPAC name of (2,5-dimethoxyphenyl)-thiophen-3-ylmethanamine (CID 43464043) is (2,5-dimethoxyphenyl)-thiophen-3-ylmethanamine.
What is the SMILES notation for (2,5-dimethoxyphenyl)-thiophen-3-ylmethanamine?
The canonical SMILES for (2,5-dimethoxyphenyl)-thiophen-3-ylmethanamine is COc1ccc(OC)c(C(N)c2ccsc2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-thiophen-3-ylmethanamine?
The InChIKey is LLCBDVAOQCEBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-15-10-3-4-12(16-2)11(7-10)13(14)9-5-6-17-8-9/h3-8,13H,14H2,1-2H3.
What are the key properties of (2,5-dimethoxyphenyl)-thiophen-3-ylmethanamine?
(2,5-dimethoxyphenyl)-thiophen-3-ylmethanamine has a molecular weight of 249.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-thiophen-3-ylmethanamine is sourced from PubChem (CID 43464043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).