2-chloro-N-[(4-chlorothiophen-2-yl)methyl]-5-methylaniline

C12H11Cl2NS — CID 107631245

IUPAC2-chloro-N-[(4-chlorothiophen-2-yl)methyl]-5-methylaniline
SMILESCc1ccc(Cl)c(NCc2cc(Cl)cs2)c1
InChIInChI=1S/C12H11Cl2NS/c1-8-2-3-11(14)12(4-8)15-6-10-5-9(13)7-16-10/h2-5,7,15H,6H2,1H3
InChIKeyZLKJHMUJEMDNDF-UHFFFAOYSA-N
MW272.20 g/mol
LogP4.98
Rot. Bonds3

About 2-chloro-N-[(4-chlorothiophen-2-yl)methyl]-5-methylaniline

2-chloro-N-[(4-chlorothiophen-2-yl)methyl]-5-methylaniline (PubChem CID 107631245) has the molecular formula C12H11Cl2NS and a molecular weight of 272.20 g/mol. Its IUPAC name is 2-chloro-N-[(4-chlorothiophen-2-yl)methyl]-5-methylaniline.

Molecular Properties

Compound Name2-chloro-N-[(4-chlorothiophen-2-yl)methyl]-5-methylaniline
PubChem CID107631245
Molecular FormulaC12H11Cl2NS
Molecular Weight272.20 g/mol
Exact Mass271.00
IUPAC Name2-chloro-N-[(4-chlorothiophen-2-yl)methyl]-5-methylaniline
SMILESCc1ccc(Cl)c(NCc2cc(Cl)cs2)c1
InChIInChI=1S/C12H11Cl2NS/c1-8-2-3-11(14)12(4-8)15-6-10-5-9(13)7-16-10/h2-5,7,15H,6H2,1H3
InChIKeyZLKJHMUJEMDNDF-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-chlorothiophen-2-yl)methyl]-5-methylaniline?
The IUPAC name of 2-chloro-N-[(4-chlorothiophen-2-yl)methyl]-5-methylaniline (CID 107631245) is 2-chloro-N-[(4-chlorothiophen-2-yl)methyl]-5-methylaniline.
What is the SMILES notation for 2-chloro-N-[(4-chlorothiophen-2-yl)methyl]-5-methylaniline?
The canonical SMILES for 2-chloro-N-[(4-chlorothiophen-2-yl)methyl]-5-methylaniline is Cc1ccc(Cl)c(NCc2cc(Cl)cs2)c1.
What is the InChIKey of 2-chloro-N-[(4-chlorothiophen-2-yl)methyl]-5-methylaniline?
The InChIKey is ZLKJHMUJEMDNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NS/c1-8-2-3-11(14)12(4-8)15-6-10-5-9(13)7-16-10/h2-5,7,15H,6H2,1H3.
What are the key properties of 2-chloro-N-[(4-chlorothiophen-2-yl)methyl]-5-methylaniline?
2-chloro-N-[(4-chlorothiophen-2-yl)methyl]-5-methylaniline has a molecular weight of 272.20 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-chlorothiophen-2-yl)methyl]-5-methylaniline is sourced from PubChem (CID 107631245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).