1-(2,3-dihydro-1-benzothiophen-3-yl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine

C16H18N2OS — CID 79220937

IUPAC1-(2,3-dihydro-1-benzothiophen-3-yl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
SMILESCOc1ccc(CNCC2CSc3ccccc32)cn1
InChIInChI=1S/C16H18N2OS/c1-19-16-7-6-12(9-18-16)8-17-10-13-11-20-15-5-3-2-4-14(13)15/h2-7,9,13,17H,8,10-11H2,1H3
InChIKeyAKDHBEWYBMYNTJ-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.07
Rot. Bonds5

About 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine

1-(2,3-dihydro-1-benzothiophen-3-yl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine (PubChem CID 79220937) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-3-yl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
PubChem CID79220937
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name1-(2,3-dihydro-1-benzothiophen-3-yl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
SMILESCOc1ccc(CNCC2CSc3ccccc32)cn1
InChIInChI=1S/C16H18N2OS/c1-19-16-7-6-12(9-18-16)8-17-10-13-11-20-15-5-3-2-4-14(13)15/h2-7,9,13,17H,8,10-11H2,1H3
InChIKeyAKDHBEWYBMYNTJ-UHFFFAOYSA-N
XLogP3.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,3-dihydro-1-benzothiophen-3-ylmethylamino)methyl]phenol
CID 114331697
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 79223198
N-[(6-methoxy-3-pyridinyl)methyl]-1-(thiolan-2-yl)methanamine
CID 114936829
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-[(3-nitrophenyl)methyl]methanamine
CID 79206156
N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxan-3-yl)methanamine
CID 55241639
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
CID 79221623
2-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-methoxypropan-1-amine
CID 79226059
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethoxymethanamine
CID 79221788
N-[(2-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 62390689
1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 79220843
1-[[(6-methoxy-3-pyridinyl)methylamino]methyl]cyclobutan-1-ol
CID 114936941
2-cyclopentyloxy-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 114936757

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine (CID 79220937) is 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine is COc1ccc(CNCC2CSc3ccccc32)cn1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine?
The InChIKey is AKDHBEWYBMYNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-19-16-7-6-12(9-18-16)8-17-10-13-11-20-15-5-3-2-4-14(13)15/h2-7,9,13,17H,8,10-11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine?
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine has a molecular weight of 286.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine is sourced from PubChem (CID 79220937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).