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

C18H17NOS — CID 105021849

IUPAC1-(1-benzothiophen-7-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
SMILESCNC(c1ccc2c(c1)COC2)c1cccc2ccsc12
InChIInChI=1S/C18H17NOS/c1-19-17(13-5-6-14-10-20-11-15(14)9-13)16-4-2-3-12-7-8-21-18(12)16/h2-9,17,19H,10-11H2,1H3
InChIKeySQDUSADGENKSHC-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.24
Rot. Bonds3

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

1-(1-benzothiophen-7-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine (PubChem CID 105021849) has the molecular formula C18H17NOS and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
PubChem CID105021849
Molecular FormulaC18H17NOS
Molecular Weight295.41 g/mol
Exact Mass295.10
IUPAC Name1-(1-benzothiophen-7-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
SMILESCNC(c1ccc2c(c1)COC2)c1cccc2ccsc12
InChIInChI=1S/C18H17NOS/c1-19-17(13-5-6-14-10-20-11-15(14)9-13)16-4-2-3-12-7-8-21-18(12)16/h2-9,17,19H,10-11H2,1H3
InChIKeySQDUSADGENKSHC-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-7-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 81153387
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 63020408
1-(2-bromo-3-methylphenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 107982028
1-(1-benzothiophen-7-yl)-1-(4-iodophenyl)-N-methylmethanamine
CID 105021870
1-(4-bromothiophen-3-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 105010610
1-(1-benzothiophen-7-yl)-1-(furan-2-yl)-N-methylmethanamine
CID 81154346
1-(2,4-dibromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 107950588
1-(2,3-difluoro-4-methylphenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 107515480
1-(1-benzothiophen-7-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 105021830
1-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 63018999
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 63186146
1-(1-benzothiophen-7-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 105021764

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-benzothiophen-7-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine (CID 105021849) is 1-(1-benzothiophen-7-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine is CNC(c1ccc2c(c1)COC2)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine?
The InChIKey is SQDUSADGENKSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS/c1-19-17(13-5-6-14-10-20-11-15(14)9-13)16-4-2-3-12-7-8-21-18(12)16/h2-9,17,19H,10-11H2,1H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine?
1-(1-benzothiophen-7-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine has a molecular weight of 295.41 g/mol, XLogP of 4.24, 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-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine is sourced from PubChem (CID 105021849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).