4-(3,5-dimethylthiophen-2-yl)-2,5-dimethylaniline

C14H17NS — CID 103145683

IUPAC4-(3,5-dimethylthiophen-2-yl)-2,5-dimethylaniline
SMILESCc1cc(C)c(-c2cc(C)c(N)cc2C)s1
InChIInChI=1S/C14H17NS/c1-8-7-13(15)9(2)6-12(8)14-10(3)5-11(4)16-14/h5-7H,15H2,1-4H3
InChIKeyQPARMYQCBLOVSI-UHFFFAOYSA-N
MW231.36 g/mol
LogP4.23
Rot. Bonds1

About 4-(3,5-dimethylthiophen-2-yl)-2,5-dimethylaniline

4-(3,5-dimethylthiophen-2-yl)-2,5-dimethylaniline (PubChem CID 103145683) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 4-(3,5-dimethylthiophen-2-yl)-2,5-dimethylaniline.

Molecular Properties

Compound Name4-(3,5-dimethylthiophen-2-yl)-2,5-dimethylaniline
PubChem CID103145683
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name4-(3,5-dimethylthiophen-2-yl)-2,5-dimethylaniline
SMILESCc1cc(C)c(-c2cc(C)c(N)cc2C)s1
InChIInChI=1S/C14H17NS/c1-8-7-13(15)9(2)6-12(8)14-10(3)5-11(4)16-14/h5-7H,15H2,1-4H3
InChIKeyQPARMYQCBLOVSI-UHFFFAOYSA-N
XLogP4.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylthiophen-2-yl)-2,5-dimethylaniline?
The IUPAC name of 4-(3,5-dimethylthiophen-2-yl)-2,5-dimethylaniline (CID 103145683) is 4-(3,5-dimethylthiophen-2-yl)-2,5-dimethylaniline.
What is the SMILES notation for 4-(3,5-dimethylthiophen-2-yl)-2,5-dimethylaniline?
The canonical SMILES for 4-(3,5-dimethylthiophen-2-yl)-2,5-dimethylaniline is Cc1cc(C)c(-c2cc(C)c(N)cc2C)s1.
What is the InChIKey of 4-(3,5-dimethylthiophen-2-yl)-2,5-dimethylaniline?
The InChIKey is QPARMYQCBLOVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-8-7-13(15)9(2)6-12(8)14-10(3)5-11(4)16-14/h5-7H,15H2,1-4H3.
What are the key properties of 4-(3,5-dimethylthiophen-2-yl)-2,5-dimethylaniline?
4-(3,5-dimethylthiophen-2-yl)-2,5-dimethylaniline has a molecular weight of 231.36 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylthiophen-2-yl)-2,5-dimethylaniline is sourced from PubChem (CID 103145683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).