1-(1-benzothiophen-2-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine

C16H16N2S — CID 105023280

IUPAC1-(1-benzothiophen-2-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
SMILESCNC(c1cncc(C)c1)c1cc2ccccc2s1
InChIInChI=1S/C16H16N2S/c1-11-7-13(10-18-9-11)16(17-2)15-8-12-5-3-4-6-14(12)19-15/h3-10,16-17H,1-2H3
InChIKeyQHQQOBVRTKENSI-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.91
Rot. Bonds3

About 1-(1-benzothiophen-2-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine

1-(1-benzothiophen-2-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine (PubChem CID 105023280) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
PubChem CID105023280
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC Name1-(1-benzothiophen-2-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
SMILESCNC(c1cncc(C)c1)c1cc2ccccc2s1
InChIInChI=1S/C16H16N2S/c1-11-7-13(10-18-9-11)16(17-2)15-8-12-5-3-4-6-14(12)19-15/h3-10,16-17H,1-2H3
InChIKeyQHQQOBVRTKENSI-UHFFFAOYSA-N
XLogP3.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(5-methyl-3-pyridinyl)-1-phenylmethanamine
CID 115374320
1-(1-benzothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130130
1-(1-benzothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine
CID 61407065
[1-benzothiophen-2-yl-(4-methylphenyl)methyl]hydrazine
CID 105285358
N-methyl-1-(5-methyl-3-pyridinyl)-1-pyridin-3-ylmethanamine
CID 115374295
N-methyl-1-(5-methyl-3-pyridinyl)-1-quinolin-8-ylmethanamine
CID 105172541
N-[(5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 105022872
1-(1-benzothiophen-2-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 61407015
1-(3-iodophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105023193
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(5-methyl-3-pyridinyl)methanamine
CID 105173880
1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine
CID 105396900
N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-methyl-3-pyridinyl)methanamine
CID 105173794

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine (CID 105023280) is 1-(1-benzothiophen-2-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine is CNC(c1cncc(C)c1)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine?
The InChIKey is QHQQOBVRTKENSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-11-7-13(10-18-9-11)16(17-2)15-8-12-5-3-4-6-14(12)19-15/h3-10,16-17H,1-2H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine?
1-(1-benzothiophen-2-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine has a molecular weight of 268.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 105023280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).