5-(2,6-dichloro-3,5-dimethoxyphenyl)-3-ethenylthiophen-2-amine

C14H13Cl2NO2S — CID 142381479

IUPAC5-(2,6-dichloro-3,5-dimethoxyphenyl)-3-ethenylthiophen-2-amine
SMILESC=Cc1cc(-c2c(Cl)c(OC)cc(OC)c2Cl)sc1N
InChIInChI=1S/C14H13Cl2NO2S/c1-4-7-5-10(20-14(7)17)11-12(15)8(18-2)6-9(19-3)13(11)16/h4-6H,1,17H2,2-3H3
InChIKeyAMVUGHRUCPULBB-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.96
Rot. Bonds4

About 5-(2,6-dichloro-3,5-dimethoxyphenyl)-3-ethenylthiophen-2-amine

5-(2,6-dichloro-3,5-dimethoxyphenyl)-3-ethenylthiophen-2-amine (PubChem CID 142381479) has the molecular formula C14H13Cl2NO2S and a molecular weight of 330.24 g/mol. Its IUPAC name is 5-(2,6-dichloro-3,5-dimethoxyphenyl)-3-ethenylthiophen-2-amine.

Molecular Properties

Compound Name5-(2,6-dichloro-3,5-dimethoxyphenyl)-3-ethenylthiophen-2-amine
PubChem CID142381479
Molecular FormulaC14H13Cl2NO2S
Molecular Weight330.24 g/mol
Exact Mass329.00
IUPAC Name5-(2,6-dichloro-3,5-dimethoxyphenyl)-3-ethenylthiophen-2-amine
SMILESC=Cc1cc(-c2c(Cl)c(OC)cc(OC)c2Cl)sc1N
InChIInChI=1S/C14H13Cl2NO2S/c1-4-7-5-10(20-14(7)17)11-12(15)8(18-2)6-9(19-3)13(11)16/h4-6H,1,17H2,2-3H3
InChIKeyAMVUGHRUCPULBB-UHFFFAOYSA-N
XLogP4.96
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichloro-3,5-dimethoxyphenyl)-3-ethenylthiophen-2-amine?
The IUPAC name of 5-(2,6-dichloro-3,5-dimethoxyphenyl)-3-ethenylthiophen-2-amine (CID 142381479) is 5-(2,6-dichloro-3,5-dimethoxyphenyl)-3-ethenylthiophen-2-amine.
What is the SMILES notation for 5-(2,6-dichloro-3,5-dimethoxyphenyl)-3-ethenylthiophen-2-amine?
The canonical SMILES for 5-(2,6-dichloro-3,5-dimethoxyphenyl)-3-ethenylthiophen-2-amine is C=Cc1cc(-c2c(Cl)c(OC)cc(OC)c2Cl)sc1N.
What is the InChIKey of 5-(2,6-dichloro-3,5-dimethoxyphenyl)-3-ethenylthiophen-2-amine?
The InChIKey is AMVUGHRUCPULBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2S/c1-4-7-5-10(20-14(7)17)11-12(15)8(18-2)6-9(19-3)13(11)16/h4-6H,1,17H2,2-3H3.
What are the key properties of 5-(2,6-dichloro-3,5-dimethoxyphenyl)-3-ethenylthiophen-2-amine?
5-(2,6-dichloro-3,5-dimethoxyphenyl)-3-ethenylthiophen-2-amine has a molecular weight of 330.24 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichloro-3,5-dimethoxyphenyl)-3-ethenylthiophen-2-amine is sourced from PubChem (CID 142381479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).