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

C13H14INS — CID 142315168

IUPAC5-iodo-N,N-dimethyl-2-(5-methylthiophen-2-yl)aniline
SMILESCc1ccc(-c2ccc(I)cc2N(C)C)s1
InChIInChI=1S/C13H14INS/c1-9-4-7-13(16-9)11-6-5-10(14)8-12(11)15(2)3/h4-8H,1-3H3
InChIKeyZVPREOROTIDPEO-UHFFFAOYSA-N
MW343.23 g/mol
LogP4.39
Rot. Bonds2

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

5-iodo-N,N-dimethyl-2-(5-methylthiophen-2-yl)aniline (PubChem CID 142315168) has the molecular formula C13H14INS and a molecular weight of 343.23 g/mol. Its IUPAC name is 5-iodo-N,N-dimethyl-2-(5-methylthiophen-2-yl)aniline.

Molecular Properties

Compound Name5-iodo-N,N-dimethyl-2-(5-methylthiophen-2-yl)aniline
PubChem CID142315168
Molecular FormulaC13H14INS
Molecular Weight343.23 g/mol
Exact Mass342.99
IUPAC Name5-iodo-N,N-dimethyl-2-(5-methylthiophen-2-yl)aniline
SMILESCc1ccc(-c2ccc(I)cc2N(C)C)s1
InChIInChI=1S/C13H14INS/c1-9-4-7-13(16-9)11-6-5-10(14)8-12(11)15(2)3/h4-8H,1-3H3
InChIKeyZVPREOROTIDPEO-UHFFFAOYSA-N
XLogP4.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-N,N-dimethyl-2-(5-methylthiophen-2-yl)aniline?
The IUPAC name of 5-iodo-N,N-dimethyl-2-(5-methylthiophen-2-yl)aniline (CID 142315168) is 5-iodo-N,N-dimethyl-2-(5-methylthiophen-2-yl)aniline.
What is the SMILES notation for 5-iodo-N,N-dimethyl-2-(5-methylthiophen-2-yl)aniline?
The canonical SMILES for 5-iodo-N,N-dimethyl-2-(5-methylthiophen-2-yl)aniline is Cc1ccc(-c2ccc(I)cc2N(C)C)s1.
What is the InChIKey of 5-iodo-N,N-dimethyl-2-(5-methylthiophen-2-yl)aniline?
The InChIKey is ZVPREOROTIDPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14INS/c1-9-4-7-13(16-9)11-6-5-10(14)8-12(11)15(2)3/h4-8H,1-3H3.
What are the key properties of 5-iodo-N,N-dimethyl-2-(5-methylthiophen-2-yl)aniline?
5-iodo-N,N-dimethyl-2-(5-methylthiophen-2-yl)aniline has a molecular weight of 343.23 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N,N-dimethyl-2-(5-methylthiophen-2-yl)aniline is sourced from PubChem (CID 142315168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).