[4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]-1-benzothiophen-2-yl]methanamine

C15H19FN2OS — CID 62422866

IUPAC[4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]-1-benzothiophen-2-yl]methanamine
SMILESCC1COCCN1Cc1c(CN)sc2cccc(F)c12
InChIInChI=1S/C15H19FN2OS/c1-10-9-19-6-5-18(10)8-11-14(7-17)20-13-4-2-3-12(16)15(11)13/h2-4,10H,5-9,17H2,1H3
InChIKeyCTEVWXWKBIQXJP-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.72
Rot. Bonds3

About [4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]-1-benzothiophen-2-yl]methanamine

[4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]-1-benzothiophen-2-yl]methanamine (PubChem CID 62422866) has the molecular formula C15H19FN2OS and a molecular weight of 294.39 g/mol. Its IUPAC name is [4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]-1-benzothiophen-2-yl]methanamine.

Molecular Properties

Compound Name[4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]-1-benzothiophen-2-yl]methanamine
PubChem CID62422866
Molecular FormulaC15H19FN2OS
Molecular Weight294.39 g/mol
Exact Mass294.12
IUPAC Name[4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]-1-benzothiophen-2-yl]methanamine
SMILESCC1COCCN1Cc1c(CN)sc2cccc(F)c12
InChIInChI=1S/C15H19FN2OS/c1-10-9-19-6-5-18(10)8-11-14(7-17)20-13-4-2-3-12(16)15(11)13/h2-4,10H,5-9,17H2,1H3
InChIKeyCTEVWXWKBIQXJP-UHFFFAOYSA-N
XLogP2.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]-1-benzothiophen-2-yl]methanamine?
The IUPAC name of [4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]-1-benzothiophen-2-yl]methanamine (CID 62422866) is [4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]-1-benzothiophen-2-yl]methanamine.
What is the SMILES notation for [4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]-1-benzothiophen-2-yl]methanamine?
The canonical SMILES for [4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]-1-benzothiophen-2-yl]methanamine is CC1COCCN1Cc1c(CN)sc2cccc(F)c12.
What is the InChIKey of [4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]-1-benzothiophen-2-yl]methanamine?
The InChIKey is CTEVWXWKBIQXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2OS/c1-10-9-19-6-5-18(10)8-11-14(7-17)20-13-4-2-3-12(16)15(11)13/h2-4,10H,5-9,17H2,1H3.
What are the key properties of [4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]-1-benzothiophen-2-yl]methanamine?
[4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]-1-benzothiophen-2-yl]methanamine has a molecular weight of 294.39 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]-1-benzothiophen-2-yl]methanamine is sourced from PubChem (CID 62422866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).