3-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline

C15H18N2S — CID 61262376

IUPAC3-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline
SMILESCC(c1cccc(N)c1)N1CCc2sccc2C1
InChIInChI=1S/C15H18N2S/c1-11(12-3-2-4-14(16)9-12)17-7-5-15-13(10-17)6-8-18-15/h2-4,6,8-9,11H,5,7,10,16H2,1H3
InChIKeyYPFOUFUGTQNENL-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.45
Rot. Bonds2

About 3-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline

3-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline (PubChem CID 61262376) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 3-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline.

Molecular Properties

Compound Name3-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline
PubChem CID61262376
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name3-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline
SMILESCC(c1cccc(N)c1)N1CCc2sccc2C1
InChIInChI=1S/C15H18N2S/c1-11(12-3-2-4-14(16)9-12)17-7-5-15-13(10-17)6-8-18-15/h2-4,6,8-9,11H,5,7,10,16H2,1H3
InChIKeyYPFOUFUGTQNENL-UHFFFAOYSA-N
XLogP3.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.45
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 3-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline?
The IUPAC name of 3-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline (CID 61262376) is 3-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline.
What is the SMILES notation for 3-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline?
The canonical SMILES for 3-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline is CC(c1cccc(N)c1)N1CCc2sccc2C1.
What is the InChIKey of 3-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline?
The InChIKey is YPFOUFUGTQNENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-11(12-3-2-4-14(16)9-12)17-7-5-15-13(10-17)6-8-18-15/h2-4,6,8-9,11H,5,7,10,16H2,1H3.
What are the key properties of 3-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline?
3-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline has a molecular weight of 258.39 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline is sourced from PubChem (CID 61262376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).