7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine

C20H17NS — CID 144687607

IUPAC7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine
SMILESCc1ccc2c(c1)sc1c(Nc3ccccc3C)cccc12
InChIInChI=1S/C20H17NS/c1-13-10-11-15-16-7-5-9-18(20(16)22-19(15)12-13)21-17-8-4-3-6-14(17)2/h3-12,21H,1-2H3
InChIKeyIPWFMGPVOQQXMX-UHFFFAOYSA-N
MW303.43 g/mol
LogP6.41
Rot. Bonds2

About 7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine

7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine (PubChem CID 144687607) has the molecular formula C20H17NS and a molecular weight of 303.43 g/mol. Its IUPAC name is 7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound Name7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine
PubChem CID144687607
Molecular FormulaC20H17NS
Molecular Weight303.43 g/mol
Exact Mass303.11
IUPAC Name7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine
SMILESCc1ccc2c(c1)sc1c(Nc3ccccc3C)cccc12
InChIInChI=1S/C20H17NS/c1-13-10-11-15-16-7-5-9-18(20(16)22-19(15)12-13)21-17-8-4-3-6-14(17)2/h3-12,21H,1-2H3
InChIKeyIPWFMGPVOQQXMX-UHFFFAOYSA-N
XLogP6.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.43
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine?
The IUPAC name of 7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine (CID 144687607) is 7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for 7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for 7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine is Cc1ccc2c(c1)sc1c(Nc3ccccc3C)cccc12.
What is the InChIKey of 7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine?
The InChIKey is IPWFMGPVOQQXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NS/c1-13-10-11-15-16-7-5-9-18(20(16)22-19(15)12-13)21-17-8-4-3-6-14(17)2/h3-12,21H,1-2H3.
What are the key properties of 7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine?
7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine has a molecular weight of 303.43 g/mol, XLogP of 6.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 144687607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).