1-(5-dibenzofuran-2-ylthiophen-3-yl)-N-methylmethanamine

C18H15NOS — CID 63424251

IUPAC1-(5-dibenzofuran-2-ylthiophen-3-yl)-N-methylmethanamine
SMILESCNCc1csc(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C18H15NOS/c1-19-10-12-8-18(21-11-12)13-6-7-17-15(9-13)14-4-2-3-5-16(14)20-17/h2-9,11,19H,10H2,1H3
InChIKeyWFMAXZKCGIWOKJ-UHFFFAOYSA-N
MW293.39 g/mol
LogP5.03
Rot. Bonds3

About 1-(5-dibenzofuran-2-ylthiophen-3-yl)-N-methylmethanamine

1-(5-dibenzofuran-2-ylthiophen-3-yl)-N-methylmethanamine (PubChem CID 63424251) has the molecular formula C18H15NOS and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-(5-dibenzofuran-2-ylthiophen-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-dibenzofuran-2-ylthiophen-3-yl)-N-methylmethanamine
PubChem CID63424251
Molecular FormulaC18H15NOS
Molecular Weight293.39 g/mol
Exact Mass293.09
IUPAC Name1-(5-dibenzofuran-2-ylthiophen-3-yl)-N-methylmethanamine
SMILESCNCc1csc(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C18H15NOS/c1-19-10-12-8-18(21-11-12)13-6-7-17-15(9-13)14-4-2-3-5-16(14)20-17/h2-9,11,19H,10H2,1H3
InChIKeyWFMAXZKCGIWOKJ-UHFFFAOYSA-N
XLogP5.03
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.39
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-dibenzofuran-2-ylthiophen-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-dibenzofuran-2-ylthiophen-3-yl)-N-methylmethanamine (CID 63424251) is 1-(5-dibenzofuran-2-ylthiophen-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-dibenzofuran-2-ylthiophen-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-dibenzofuran-2-ylthiophen-3-yl)-N-methylmethanamine is CNCc1csc(-c2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of 1-(5-dibenzofuran-2-ylthiophen-3-yl)-N-methylmethanamine?
The InChIKey is WFMAXZKCGIWOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NOS/c1-19-10-12-8-18(21-11-12)13-6-7-17-15(9-13)14-4-2-3-5-16(14)20-17/h2-9,11,19H,10H2,1H3.
What are the key properties of 1-(5-dibenzofuran-2-ylthiophen-3-yl)-N-methylmethanamine?
1-(5-dibenzofuran-2-ylthiophen-3-yl)-N-methylmethanamine has a molecular weight of 293.39 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-dibenzofuran-2-ylthiophen-3-yl)-N-methylmethanamine is sourced from PubChem (CID 63424251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).