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

C17H22N2S — CID 107274405

IUPAC2-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]aniline
SMILESCC1c2ccsc2CCN1CCCc1ccccc1N
InChIInChI=1S/C17H22N2S/c1-13-15-9-12-20-17(15)8-11-19(13)10-4-6-14-5-2-3-7-16(14)18/h2-3,5,7,9,12-13H,4,6,8,10-11,18H2,1H3
InChIKeyXSGDYSWKHKAPQR-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.88
Rot. Bonds4

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

2-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]aniline (PubChem CID 107274405) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 2-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]aniline.

Molecular Properties

Compound Name2-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]aniline
PubChem CID107274405
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name2-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]aniline
SMILESCC1c2ccsc2CCN1CCCc1ccccc1N
InChIInChI=1S/C17H22N2S/c1-13-15-9-12-20-17(15)8-11-19(13)10-4-6-14-5-2-3-7-16(14)18/h2-3,5,7,9,12-13H,4,6,8,10-11,18H2,1H3
InChIKeyXSGDYSWKHKAPQR-UHFFFAOYSA-N
XLogP3.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.88
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

2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline
CID 55079205
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
4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanehydrazide
CID 63585229
5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentanimidamide
CID 55010853
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-thiophen-2-ylethanamine
CID 115287790
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
2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(3-phenylpropyl)acetamide
CID 8999972

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]aniline?
The IUPAC name of 2-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]aniline (CID 107274405) is 2-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]aniline.
What is the SMILES notation for 2-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]aniline?
The canonical SMILES for 2-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]aniline is CC1c2ccsc2CCN1CCCc1ccccc1N.
What is the InChIKey of 2-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]aniline?
The InChIKey is XSGDYSWKHKAPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-13-15-9-12-20-17(15)8-11-19(13)10-4-6-14-5-2-3-7-16(14)18/h2-3,5,7,9,12-13H,4,6,8,10-11,18H2,1H3.
What are the key properties of 2-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]aniline?
2-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]aniline has a molecular weight of 286.44 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]aniline is sourced from PubChem (CID 107274405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).