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

C16H19FN2S — CID 64767942

IUPAC[4-fluoro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phenyl]methanamine
SMILESCC1c2ccsc2CCN1Cc1cc(F)ccc1CN
InChIInChI=1S/C16H19FN2S/c1-11-15-5-7-20-16(15)4-6-19(11)10-13-8-14(17)3-2-12(13)9-18/h2-3,5,7-8,11H,4,6,9-10,18H2,1H3
InChIKeyZHQOVTLYQDJMBD-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.47
Rot. Bonds3

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

[4-fluoro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phenyl]methanamine (PubChem CID 64767942) has the molecular formula C16H19FN2S and a molecular weight of 290.41 g/mol. Its IUPAC name is [4-fluoro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phenyl]methanamine
PubChem CID64767942
Molecular FormulaC16H19FN2S
Molecular Weight290.41 g/mol
Exact Mass290.13
IUPAC Name[4-fluoro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phenyl]methanamine
SMILESCC1c2ccsc2CCN1Cc1cc(F)ccc1CN
InChIInChI=1S/C16H19FN2S/c1-11-15-5-7-20-16(15)4-6-19(11)10-13-8-14(17)3-2-12(13)9-18/h2-3,5,7-8,11H,4,6,9-10,18H2,1H3
InChIKeyZHQOVTLYQDJMBD-UHFFFAOYSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phenyl]methanamine?
The IUPAC name of [4-fluoro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phenyl]methanamine (CID 64767942) is [4-fluoro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [4-fluoro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phenyl]methanamine?
The canonical SMILES for [4-fluoro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phenyl]methanamine is CC1c2ccsc2CCN1Cc1cc(F)ccc1CN.
What is the InChIKey of [4-fluoro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phenyl]methanamine?
The InChIKey is ZHQOVTLYQDJMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2S/c1-11-15-5-7-20-16(15)4-6-19(11)10-13-8-14(17)3-2-12(13)9-18/h2-3,5,7-8,11H,4,6,9-10,18H2,1H3.
What are the key properties of [4-fluoro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phenyl]methanamine?
[4-fluoro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phenyl]methanamine has a molecular weight of 290.41 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 64767942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).