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

C15H18N2S — CID 61261654

IUPAC4-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline
SMILESCC(c1ccc(N)cc1)N1CCc2sccc2C1
InChIInChI=1S/C15H18N2S/c1-11(12-2-4-14(16)5-3-12)17-8-6-15-13(10-17)7-9-18-15/h2-5,7,9,11H,6,8,10,16H2,1H3
InChIKeyUEGMVUYGZGUNJB-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.45
Rot. Bonds2

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

4-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline (PubChem CID 61261654) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 4-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline.

Molecular Properties

Compound Name4-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline
PubChem CID61261654
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name4-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline
SMILESCC(c1ccc(N)cc1)N1CCc2sccc2C1
InChIInChI=1S/C15H18N2S/c1-11(12-2-4-14(16)5-3-12)17-8-6-15-13(10-17)7-9-18-15/h2-5,7,9,11H,6,8,10,16H2,1H3
InChIKeyUEGMVUYGZGUNJB-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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Related Compounds

3-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline
CID 61262376
carbanide;(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;ethane;5-[(1R)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-[(1S)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;tetrakis(yttrium)
CID 159386149
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylbutan-1-amine
CID 79413918
5-[(1R)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 59078186
2-(4-aminophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]acetamide
CID 119856322
ethane;iodo(trimethyl)silane;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-ol
CID 161382340
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid
CID 43101067
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N,3-dimethylbutan-1-amine
CID 62439639
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanimidamide
CID 60913679
6-[(1S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 30765842
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-methoxypropan-1-amine
CID 103225266
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylbutan-1-amine
CID 62438747

Frequently Asked Questions

What is the IUPAC name of 4-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline?
The IUPAC name of 4-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline (CID 61261654) is 4-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline.
What is the SMILES notation for 4-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline?
The canonical SMILES for 4-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline is CC(c1ccc(N)cc1)N1CCc2sccc2C1.
What is the InChIKey of 4-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline?
The InChIKey is UEGMVUYGZGUNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-11(12-2-4-14(16)5-3-12)17-8-6-15-13(10-17)7-9-18-15/h2-5,7,9,11H,6,8,10,16H2,1H3.
What are the key properties of 4-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline?
4-[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 4-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline is sourced from PubChem (CID 61261654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).