1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine

C18H21NS — CID 105097285

IUPAC1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(C)c1)C1Cc2ccccc2S1
InChIInChI=1S/C18H21NS/c1-12-8-13(2)10-15(9-12)18(19-3)17-11-14-6-4-5-7-16(14)20-17/h4-10,17-19H,11H2,1-3H3
InChIKeyIHGSGOUIYAFAEY-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.28
Rot. Bonds3

About 1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine

1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine (PubChem CID 105097285) has the molecular formula C18H21NS and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
PubChem CID105097285
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(C)c1)C1Cc2ccccc2S1
InChIInChI=1S/C18H21NS/c1-12-8-13(2)10-15(9-12)18(19-3)17-11-14-6-4-5-7-16(14)20-17/h4-10,17-19H,11H2,1-3H3
InChIKeyIHGSGOUIYAFAEY-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1-benzothiophen-2-yl-(3,5-dimethylphenyl)methanamine
CID 105096694
N-[2,3-dihydro-1-benzothiophen-2-yl-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 105170008
1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105173320
N-[2,3-dihydro-1-benzothiophen-2-yl-(3-methylphenyl)methyl]propan-1-amine
CID 105090537
[2,3-dihydro-1-benzothiophen-2-yl(phenyl)methyl]hydrazine
CID 105282926
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine
CID 105079050
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 105084269
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 105149675
N-[2,3-dihydro-1-benzothiophen-2-yl-(3,4-dimethylphenyl)methyl]ethanamine
CID 105140323
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpent-3-yn-1-amine
CID 105112708
1-(2,3-dihydro-1H-inden-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79703756
N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylphenyl)methyl]ethanamine
CID 105094696

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine (CID 105097285) is 1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine is CNC(c1cc(C)cc(C)c1)C1Cc2ccccc2S1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
The InChIKey is IHGSGOUIYAFAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS/c1-12-8-13(2)10-15(9-12)18(19-3)17-11-14-6-4-5-7-16(14)20-17/h4-10,17-19H,11H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine has a molecular weight of 283.44 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 105097285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).