1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine

C16H21N3S — CID 105148959

IUPAC1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1C(NC)C1Cc2ccccc2S1
InChIInChI=1S/C16H21N3S/c1-3-9-19-10-8-18-16(19)15(17-2)14-11-12-6-4-5-7-13(12)20-14/h4-8,10,14-15,17H,3,9,11H2,1-2H3
InChIKeyXJRSONRVNPKKHT-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.27
Rot. Bonds5

About 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine

1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine (PubChem CID 105148959) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
PubChem CID105148959
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1C(NC)C1Cc2ccccc2S1
InChIInChI=1S/C16H21N3S/c1-3-9-19-10-8-18-16(19)15(17-2)14-11-12-6-4-5-7-13(12)20-14/h4-8,10,14-15,17H,3,9,11H2,1-2H3
InChIKeyXJRSONRVNPKKHT-UHFFFAOYSA-N
XLogP3.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 105149675
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105167273
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 64984371
1-cyclooctyl-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 80603549
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine
CID 105079050
N-methyl-1-(oxolan-2-yl)-1-(1-propylimidazol-2-yl)methanamine
CID 65328911
1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105173320
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylhexan-1-amine
CID 105130052
N-methyl-1-(oxan-3-yl)-1-(1-propylimidazol-2-yl)methanamine
CID 65332085
2-(2-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)ethanamine
CID 63970219
N-[2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methyl]ethanamine
CID 105098407
N-[1,4-dithian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine
CID 79965935

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine (CID 105148959) is 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine is CCCn1ccnc1C(NC)C1Cc2ccccc2S1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine?
The InChIKey is XJRSONRVNPKKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-3-9-19-10-8-18-16(19)15(17-2)14-11-12-6-4-5-7-13(12)20-14/h4-8,10,14-15,17H,3,9,11H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine?
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine has a molecular weight of 287.43 g/mol, XLogP of 3.27, 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-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine is sourced from PubChem (CID 105148959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).