1-(1-benzothiophen-7-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine

C16H17NOS — CID 105021830

IUPAC1-(1-benzothiophen-7-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)oc1C)c1cccc2ccsc12
InChIInChI=1S/C16H17NOS/c1-10-9-14(11(2)18-10)15(17-3)13-6-4-5-12-7-8-19-16(12)13/h4-9,15,17H,1-3H3
InChIKeyGSADTKBYGYYWLC-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.42
Rot. Bonds3

About 1-(1-benzothiophen-7-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine

1-(1-benzothiophen-7-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine (PubChem CID 105021830) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
PubChem CID105021830
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name1-(1-benzothiophen-7-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)oc1C)c1cccc2ccsc12
InChIInChI=1S/C16H17NOS/c1-10-9-14(11(2)18-10)15(17-3)13-6-4-5-12-7-8-19-16(12)13/h4-9,15,17H,1-3H3
InChIKeyGSADTKBYGYYWLC-UHFFFAOYSA-N
XLogP4.42
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-7-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 105021764
1-(1-benzothiophen-7-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 81153387
1-(1-benzothiophen-7-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 81152982
1-(1-benzothiophen-7-yl)-1-(furan-2-yl)-N-methylmethanamine
CID 81154346
1-(1-benzothiophen-7-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 105021845
1-(1-benzothiophen-7-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 105021929
1-(1-benzothiophen-7-yl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine
CID 107968843
1-(1-benzothiophen-7-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 81300650
1-(1-benzofuran-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 105044001
1-(1-benzothiophen-7-yl)-1-(4-iodophenyl)-N-methylmethanamine
CID 105021870
1-(1-benzothiophen-3-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 43485732
1-(1-benzothiophen-7-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine
CID 105172867

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-benzothiophen-7-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine (CID 105021830) is 1-(1-benzothiophen-7-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine is CNC(c1cc(C)oc1C)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
The InChIKey is GSADTKBYGYYWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-10-9-14(11(2)18-10)15(17-3)13-6-4-5-12-7-8-19-16(12)13/h4-9,15,17H,1-3H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
1-(1-benzothiophen-7-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine has a molecular weight of 271.38 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine is sourced from PubChem (CID 105021830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).