5-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-N,N-dimethylpyridin-2-amine

C18H19FN2OS — CID 46947357

IUPAC5-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(-c2cc3ccc(OCCCF)cc3s2)cn1
InChIInChI=1S/C18H19FN2OS/c1-21(2)18-7-5-14(12-20-18)16-10-13-4-6-15(11-17(13)23-16)22-9-3-8-19/h4-7,10-12H,3,8-9H2,1-2H3
InChIKeyNNYFDRMRBYJZQU-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.77
Rot. Bonds6

About 5-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-N,N-dimethylpyridin-2-amine

5-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-N,N-dimethylpyridin-2-amine (PubChem CID 46947357) has the molecular formula C18H19FN2OS and a molecular weight of 330.43 g/mol. Its IUPAC name is 5-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-N,N-dimethylpyridin-2-amine
PubChem CID46947357
Molecular FormulaC18H19FN2OS
Molecular Weight330.43 g/mol
Exact Mass330.12
IUPAC Name5-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(-c2cc3ccc(OCCCF)cc3s2)cn1
InChIInChI=1S/C18H19FN2OS/c1-21(2)18-7-5-14(12-20-18)16-10-13-4-6-15(11-17(13)23-16)22-9-3-8-19/h4-7,10-12H,3,8-9H2,1-2H3
InChIKeyNNYFDRMRBYJZQU-UHFFFAOYSA-N
XLogP4.77
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-N,N-dimethylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-N,N-dimethylpyridin-2-amine (CID 46947357) is 5-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-N,N-dimethylpyridin-2-amine is CN(C)c1ccc(-c2cc3ccc(OCCCF)cc3s2)cn1.
What is the InChIKey of 5-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-N,N-dimethylpyridin-2-amine?
The InChIKey is NNYFDRMRBYJZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2OS/c1-21(2)18-7-5-14(12-20-18)16-10-13-4-6-15(11-17(13)23-16)22-9-3-8-19/h4-7,10-12H,3,8-9H2,1-2H3.
What are the key properties of 5-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-N,N-dimethylpyridin-2-amine?
5-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-N,N-dimethylpyridin-2-amine has a molecular weight of 330.43 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 46947357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).