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

C16H20N2S — CID 55079205

IUPAC2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline
SMILESCC1c2ccsc2CCN1CCc1ccccc1N
InChIInChI=1S/C16H20N2S/c1-12-14-8-11-19-16(14)7-10-18(12)9-6-13-4-2-3-5-15(13)17/h2-5,8,11-12H,6-7,9-10,17H2,1H3
InChIKeyCGGNTQSLRXYYKP-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.49
Rot. Bonds3

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

2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline (PubChem CID 55079205) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline.

Molecular Properties

Compound Name2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline
PubChem CID55079205
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline
SMILESCC1c2ccsc2CCN1CCc1ccccc1N
InChIInChI=1S/C16H20N2S/c1-12-14-8-11-19-16(14)7-10-18(12)9-6-13-4-2-3-5-15(13)17/h2-5,8,11-12H,6-7,9-10,17H2,1H3
InChIKeyCGGNTQSLRXYYKP-UHFFFAOYSA-N
XLogP3.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Related Compounds

2-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]aniline
CID 107274405
3-(2-aminophenyl)-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 120608334
4-chloro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]aniline
CID 79583191
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-thiophen-2-ylethanamine
CID 115287790
1-(2-bromophenyl)-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 62630719
2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]aniline
CID 62496588
6-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]pyridin-2-amine
CID 79243185
phenyl 2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanesulfonate
CID 32973870
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetonitrile
CID 60699782
2,2-dimethyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanenitrile
CID 65251827
3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(4-methylphenyl)propan-1-amine
CID 62618249
4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanehydrazide
CID 63585229

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline?
The IUPAC name of 2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline (CID 55079205) is 2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline.
What is the SMILES notation for 2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline?
The canonical SMILES for 2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline is CC1c2ccsc2CCN1CCc1ccccc1N.
What is the InChIKey of 2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline?
The InChIKey is CGGNTQSLRXYYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-12-14-8-11-19-16(14)7-10-18(12)9-6-13-4-2-3-5-15(13)17/h2-5,8,11-12H,6-7,9-10,17H2,1H3.
What are the key properties of 2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline?
2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline has a molecular weight of 272.42 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline is sourced from PubChem (CID 55079205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).