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

C14H15FN2S — CID 55011245

IUPAC3-fluoro-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
SMILESCC1c2ccsc2CCN1c1cc(N)cc(F)c1
InChIInChI=1S/C14H15FN2S/c1-9-13-3-5-18-14(13)2-4-17(9)12-7-10(15)6-11(16)8-12/h3,5-9H,2,4,16H2,1H3
InChIKeyPVJFIJIXIKYFBN-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.59
Rot. Bonds1

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

3-fluoro-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline (PubChem CID 55011245) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-fluoro-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline.

Molecular Properties

Compound Name3-fluoro-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
PubChem CID55011245
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name3-fluoro-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
SMILESCC1c2ccsc2CCN1c1cc(N)cc(F)c1
InChIInChI=1S/C14H15FN2S/c1-9-13-3-5-18-14(13)2-4-17(9)12-7-10(15)6-11(16)8-12/h3,5-9H,2,4,16H2,1H3
InChIKeyPVJFIJIXIKYFBN-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

3-fluoro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
CID 55011052
4-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
CID 62590534
4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine
CID 55011051
5-(6-fluoropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 115416778
3-bromo-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid
CID 102822760
4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propoxyaniline
CID 63678140
3-fluoro-5-(2-methylazetidin-1-yl)aniline
CID 107335478
2-chloro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide
CID 62948132
4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine
CID 80815106
(1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine
CID 55189789
N-methyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine
CID 104533834
(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-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline?
The IUPAC name of 3-fluoro-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline (CID 55011245) is 3-fluoro-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline.
What is the SMILES notation for 3-fluoro-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline?
The canonical SMILES for 3-fluoro-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline is CC1c2ccsc2CCN1c1cc(N)cc(F)c1.
What is the InChIKey of 3-fluoro-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline?
The InChIKey is PVJFIJIXIKYFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c1-9-13-3-5-18-14(13)2-4-17(9)12-7-10(15)6-11(16)8-12/h3,5-9H,2,4,16H2,1H3.
What are the key properties of 3-fluoro-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline?
3-fluoro-5-(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-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline is sourced from PubChem (CID 55011245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).