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

C14H15FN2S — CID 55011052

IUPAC3-fluoro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
SMILESCC1c2ccsc2CCN1c1ccc(N)cc1F
InChIInChI=1S/C14H15FN2S/c1-9-11-5-7-18-14(11)4-6-17(9)13-3-2-10(16)8-12(13)15/h2-3,5,7-9H,4,6,16H2,1H3
InChIKeyQJSXCVXAFOXXJL-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.59
Rot. Bonds1

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

3-fluoro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline (PubChem CID 55011052) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-fluoro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline.

Molecular Properties

Compound Name3-fluoro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
PubChem CID55011052
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name3-fluoro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
SMILESCC1c2ccsc2CCN1c1ccc(N)cc1F
InChIInChI=1S/C14H15FN2S/c1-9-11-5-7-18-14(11)4-6-17(9)13-3-2-10(16)8-12(13)15/h2-3,5,7-9H,4,6,16H2,1H3
InChIKeyQJSXCVXAFOXXJL-UHFFFAOYSA-N
XLogP3.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.59
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

4-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
CID 62590534
3-fluoro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzaldehyde
CID 55010524
3-fluoro-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
CID 55011245
[2-fluoro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine
CID 79517021
5-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzaldehyde
CID 114844191
2-[4-bromo-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine
CID 63786834
(1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine
CID 55189789
4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine
CID 55011051
4-fluoro-3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]aniline
CID 61127204
(1R)-1-[3-chloro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine
CID 63368949
[3-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanol
CID 55040315
(1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-1-amine
CID 103958758

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline?
The IUPAC name of 3-fluoro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline (CID 55011052) is 3-fluoro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline.
What is the SMILES notation for 3-fluoro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline?
The canonical SMILES for 3-fluoro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline is CC1c2ccsc2CCN1c1ccc(N)cc1F.
What is the InChIKey of 3-fluoro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline?
The InChIKey is QJSXCVXAFOXXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c1-9-11-5-7-18-14(11)4-6-17(9)13-3-2-10(16)8-12(13)15/h2-3,5,7-9H,4,6,16H2,1H3.
What are the key properties of 3-fluoro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline?
3-fluoro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline has a molecular weight of 262.35 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline is sourced from PubChem (CID 55011052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).