1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2-methylphenyl)ethanamine

C14H15Cl2NS — CID 43486785

IUPAC1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2-methylphenyl)ethanamine
SMILESCNC(Cc1ccccc1C)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H15Cl2NS/c1-9-5-3-4-6-10(9)7-12(17-2)11-8-13(15)18-14(11)16/h3-6,8,12,17H,7H2,1-2H3
InChIKeyMIIUSHQRYISLAZ-UHFFFAOYSA-N
MW300.25 g/mol
LogP4.87
Rot. Bonds4

About 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2-methylphenyl)ethanamine

1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2-methylphenyl)ethanamine (PubChem CID 43486785) has the molecular formula C14H15Cl2NS and a molecular weight of 300.25 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2-methylphenyl)ethanamine
PubChem CID43486785
Molecular FormulaC14H15Cl2NS
Molecular Weight300.25 g/mol
Exact Mass299.03
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2-methylphenyl)ethanamine
SMILESCNC(Cc1ccccc1C)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H15Cl2NS/c1-9-5-3-4-6-10(9)7-12(17-2)11-8-13(15)18-14(11)16/h3-6,8,12,17H,7H2,1-2H3
InChIKeyMIIUSHQRYISLAZ-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2-methylphenyl)ethanamine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2-methylphenyl)ethanamine (CID 43486785) is 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2-methylphenyl)ethanamine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2-methylphenyl)ethanamine is CNC(Cc1ccccc1C)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2-methylphenyl)ethanamine?
The InChIKey is MIIUSHQRYISLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NS/c1-9-5-3-4-6-10(9)7-12(17-2)11-8-13(15)18-14(11)16/h3-6,8,12,17H,7H2,1-2H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2-methylphenyl)ethanamine?
1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2-methylphenyl)ethanamine has a molecular weight of 300.25 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 43486785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).