[4-fluoro-3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzothiophen-2-yl]methanamine

C16H15FN2OS — CID 62442811

IUPAC[4-fluoro-3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzothiophen-2-yl]methanamine
SMILESCc1ccc(OCc2c(CN)sc3cccc(F)c23)cn1
InChIInChI=1S/C16H15FN2OS/c1-10-5-6-11(8-19-10)20-9-12-15(7-18)21-14-4-2-3-13(17)16(12)14/h2-6,8H,7,9,18H2,1H3
InChIKeyITNVDMGFVLSARA-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.78
Rot. Bonds4

About [4-fluoro-3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzothiophen-2-yl]methanamine

[4-fluoro-3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzothiophen-2-yl]methanamine (PubChem CID 62442811) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is [4-fluoro-3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzothiophen-2-yl]methanamine.

Molecular Properties

Compound Name[4-fluoro-3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzothiophen-2-yl]methanamine
PubChem CID62442811
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC Name[4-fluoro-3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzothiophen-2-yl]methanamine
SMILESCc1ccc(OCc2c(CN)sc3cccc(F)c23)cn1
InChIInChI=1S/C16H15FN2OS/c1-10-5-6-11(8-19-10)20-9-12-15(7-18)21-14-4-2-3-13(17)16(12)14/h2-6,8H,7,9,18H2,1H3
InChIKeyITNVDMGFVLSARA-UHFFFAOYSA-N
XLogP3.78
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-fluoro-3-(propan-2-yloxymethyl)-1-benzothiophen-2-yl]methanamine
CID 62458040
1-[4-fluoro-3-(pyridin-3-yloxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine
CID 62450292
[4-fluoro-3-(propoxymethyl)-1-benzothiophen-2-yl]methanamine
CID 62452061
[4-fluoro-3-(2,2,2-trifluoroethoxymethyl)-1-benzothiophen-2-yl]methanamine
CID 62443877
[4-fluoro-3-(4-methylpentan-2-yloxymethyl)-1-benzothiophen-2-yl]methanamine
CID 62443526
[4-fluoro-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1-benzothiophen-2-yl]methanamine
CID 115942816
[4-fluoro-3-(pentan-2-yloxymethyl)-1-benzothiophen-2-yl]methanamine
CID 102986878
[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-fluoro-1-benzothiophen-2-yl]methanamine
CID 62448704
[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
CID 79517236
[4-fluoro-3-(thiophen-2-ylmethoxymethyl)-1-benzothiophen-2-yl]methanamine
CID 62485253
[3-[(3,4-dimethylpyrrolidin-1-yl)methyl]-4-fluoro-1-benzothiophen-2-yl]methanamine
CID 79183571
[3-(pyridin-3-yloxymethyl)-1-benzothiophen-2-yl]methanamine
CID 62451931

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzothiophen-2-yl]methanamine?
The IUPAC name of [4-fluoro-3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzothiophen-2-yl]methanamine (CID 62442811) is [4-fluoro-3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzothiophen-2-yl]methanamine.
What is the SMILES notation for [4-fluoro-3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzothiophen-2-yl]methanamine?
The canonical SMILES for [4-fluoro-3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzothiophen-2-yl]methanamine is Cc1ccc(OCc2c(CN)sc3cccc(F)c23)cn1.
What is the InChIKey of [4-fluoro-3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzothiophen-2-yl]methanamine?
The InChIKey is ITNVDMGFVLSARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS/c1-10-5-6-11(8-19-10)20-9-12-15(7-18)21-14-4-2-3-13(17)16(12)14/h2-6,8H,7,9,18H2,1H3.
What are the key properties of [4-fluoro-3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzothiophen-2-yl]methanamine?
[4-fluoro-3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzothiophen-2-yl]methanamine has a molecular weight of 302.37 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzothiophen-2-yl]methanamine is sourced from PubChem (CID 62442811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).