4-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylaniline

C15H17BrN2S — CID 123813619

IUPAC4-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylaniline
SMILESCc1cc(N2CCc3sc(Br)cc3C2)cc(C)c1N
InChIInChI=1S/C15H17BrN2S/c1-9-5-12(6-10(2)15(9)17)18-4-3-13-11(8-18)7-14(16)19-13/h5-7H,3-4,8,17H2,1-2H3
InChIKeyGRAZWIXTGFDIGG-UHFFFAOYSA-N
MW337.29 g/mol
LogP4.27
Rot. Bonds1

About 4-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylaniline

4-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylaniline (PubChem CID 123813619) has the molecular formula C15H17BrN2S and a molecular weight of 337.29 g/mol. Its IUPAC name is 4-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylaniline.

Molecular Properties

Compound Name4-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylaniline
PubChem CID123813619
Molecular FormulaC15H17BrN2S
Molecular Weight337.29 g/mol
Exact Mass336.03
IUPAC Name4-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylaniline
SMILESCc1cc(N2CCc3sc(Br)cc3C2)cc(C)c1N
InChIInChI=1S/C15H17BrN2S/c1-9-5-12(6-10(2)15(9)17)18-4-3-13-11(8-18)7-14(16)19-13/h5-7H,3-4,8,17H2,1-2H3
InChIKeyGRAZWIXTGFDIGG-UHFFFAOYSA-N
XLogP4.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylaniline?
The IUPAC name of 4-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylaniline (CID 123813619) is 4-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylaniline.
What is the SMILES notation for 4-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylaniline?
The canonical SMILES for 4-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylaniline is Cc1cc(N2CCc3sc(Br)cc3C2)cc(C)c1N.
What is the InChIKey of 4-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylaniline?
The InChIKey is GRAZWIXTGFDIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2S/c1-9-5-12(6-10(2)15(9)17)18-4-3-13-11(8-18)7-14(16)19-13/h5-7H,3-4,8,17H2,1-2H3.
What are the key properties of 4-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylaniline?
4-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylaniline has a molecular weight of 337.29 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylaniline is sourced from PubChem (CID 123813619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).