N,N-dimethyl-2-(5-methylthiophen-2-yl)aniline

C13H15NS — CID 139326802

IUPACN,N-dimethyl-2-(5-methylthiophen-2-yl)aniline
SMILESCc1ccc(-c2ccccc2N(C)C)s1
InChIInChI=1S/C13H15NS/c1-10-8-9-13(15-10)11-6-4-5-7-12(11)14(2)3/h4-9H,1-3H3
InChIKeyZOSHCWBOESGSDF-UHFFFAOYSA-N
MW217.34 g/mol
LogP3.79
Rot. Bonds2

About N,N-dimethyl-2-(5-methylthiophen-2-yl)aniline

N,N-dimethyl-2-(5-methylthiophen-2-yl)aniline (PubChem CID 139326802) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is N,N-dimethyl-2-(5-methylthiophen-2-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-2-(5-methylthiophen-2-yl)aniline
PubChem CID139326802
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC NameN,N-dimethyl-2-(5-methylthiophen-2-yl)aniline
SMILESCc1ccc(-c2ccccc2N(C)C)s1
InChIInChI=1S/C13H15NS/c1-10-8-9-13(15-10)11-6-4-5-7-12(11)14(2)3/h4-9H,1-3H3
InChIKeyZOSHCWBOESGSDF-UHFFFAOYSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(5-methylthiophen-2-yl)aniline?
The IUPAC name of N,N-dimethyl-2-(5-methylthiophen-2-yl)aniline (CID 139326802) is N,N-dimethyl-2-(5-methylthiophen-2-yl)aniline.
What is the SMILES notation for N,N-dimethyl-2-(5-methylthiophen-2-yl)aniline?
The canonical SMILES for N,N-dimethyl-2-(5-methylthiophen-2-yl)aniline is Cc1ccc(-c2ccccc2N(C)C)s1.
What is the InChIKey of N,N-dimethyl-2-(5-methylthiophen-2-yl)aniline?
The InChIKey is ZOSHCWBOESGSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-10-8-9-13(15-10)11-6-4-5-7-12(11)14(2)3/h4-9H,1-3H3.
What are the key properties of N,N-dimethyl-2-(5-methylthiophen-2-yl)aniline?
N,N-dimethyl-2-(5-methylthiophen-2-yl)aniline has a molecular weight of 217.34 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(5-methylthiophen-2-yl)aniline is sourced from PubChem (CID 139326802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).