[4-(2,3-dimethoxyphenyl)thiophen-2-yl]methanamine

C13H15NO2S — CID 82793495

IUPAC[4-(2,3-dimethoxyphenyl)thiophen-2-yl]methanamine
SMILESCOc1cccc(-c2csc(CN)c2)c1OC
InChIInChI=1S/C13H15NO2S/c1-15-12-5-3-4-11(13(12)16-2)9-6-10(7-14)17-8-9/h3-6,8H,7,14H2,1-2H3
InChIKeyVXAOXXVAMWHEMJ-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.89
Rot. Bonds4

About [4-(2,3-dimethoxyphenyl)thiophen-2-yl]methanamine

[4-(2,3-dimethoxyphenyl)thiophen-2-yl]methanamine (PubChem CID 82793495) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is [4-(2,3-dimethoxyphenyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2,3-dimethoxyphenyl)thiophen-2-yl]methanamine
PubChem CID82793495
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name[4-(2,3-dimethoxyphenyl)thiophen-2-yl]methanamine
SMILESCOc1cccc(-c2csc(CN)c2)c1OC
InChIInChI=1S/C13H15NO2S/c1-15-12-5-3-4-11(13(12)16-2)9-6-10(7-14)17-8-9/h3-6,8H,7,14H2,1-2H3
InChIKeyVXAOXXVAMWHEMJ-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethoxyphenyl)thiophen-2-yl]methanamine?
The IUPAC name of [4-(2,3-dimethoxyphenyl)thiophen-2-yl]methanamine (CID 82793495) is [4-(2,3-dimethoxyphenyl)thiophen-2-yl]methanamine.
What is the SMILES notation for [4-(2,3-dimethoxyphenyl)thiophen-2-yl]methanamine?
The canonical SMILES for [4-(2,3-dimethoxyphenyl)thiophen-2-yl]methanamine is COc1cccc(-c2csc(CN)c2)c1OC.
What is the InChIKey of [4-(2,3-dimethoxyphenyl)thiophen-2-yl]methanamine?
The InChIKey is VXAOXXVAMWHEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-15-12-5-3-4-11(13(12)16-2)9-6-10(7-14)17-8-9/h3-6,8H,7,14H2,1-2H3.
What are the key properties of [4-(2,3-dimethoxyphenyl)thiophen-2-yl]methanamine?
[4-(2,3-dimethoxyphenyl)thiophen-2-yl]methanamine has a molecular weight of 249.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethoxyphenyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 82793495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).