1-(2,5-dichlorothiophen-3-yl)-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine

C16H17Cl2NOS — CID 107960964

IUPAC1-(2,5-dichlorothiophen-3-yl)-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine
SMILESCNC(c1ccc2c(c1)CC(C)(C)O2)c1cc(Cl)sc1Cl
InChIInChI=1S/C16H17Cl2NOS/c1-16(2)8-10-6-9(4-5-12(10)20-16)14(19-3)11-7-13(17)21-15(11)18/h4-7,14,19H,8H2,1-3H3
InChIKeyVROLUFHXEUYPJO-UHFFFAOYSA-N
MW342.29 g/mol
LogP5.08
Rot. Bonds3

About 1-(2,5-dichlorothiophen-3-yl)-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine

1-(2,5-dichlorothiophen-3-yl)-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine (PubChem CID 107960964) has the molecular formula C16H17Cl2NOS and a molecular weight of 342.29 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine
PubChem CID107960964
Molecular FormulaC16H17Cl2NOS
Molecular Weight342.29 g/mol
Exact Mass341.04
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine
SMILESCNC(c1ccc2c(c1)CC(C)(C)O2)c1cc(Cl)sc1Cl
InChIInChI=1S/C16H17Cl2NOS/c1-16(2)8-10-6-9(4-5-12(10)20-16)14(19-3)11-7-13(17)21-15(11)18/h4-7,14,19H,8H2,1-3H3
InChIKeyVROLUFHXEUYPJO-UHFFFAOYSA-N
XLogP5.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.29
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dichlorothiophen-3-yl)-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine (CID 107960964) is 1-(2,5-dichlorothiophen-3-yl)-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine is CNC(c1ccc2c(c1)CC(C)(C)O2)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine?
The InChIKey is VROLUFHXEUYPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NOS/c1-16(2)8-10-6-9(4-5-12(10)20-16)14(19-3)11-7-13(17)21-15(11)18/h4-7,14,19H,8H2,1-3H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine?
1-(2,5-dichlorothiophen-3-yl)-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine has a molecular weight of 342.29 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine is sourced from PubChem (CID 107960964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).