1-(1-benzothiophen-3-ylmethyl)-5-methyl-2,3-dihydroindol-6-amine

C18H18N2S — CID 83211596

IUPAC1-(1-benzothiophen-3-ylmethyl)-5-methyl-2,3-dihydroindol-6-amine
SMILESCc1cc2c(cc1N)N(Cc1csc3ccccc13)CC2
InChIInChI=1S/C18H18N2S/c1-12-8-13-6-7-20(17(13)9-16(12)19)10-14-11-21-18-5-3-2-4-15(14)18/h2-5,8-9,11H,6-7,10,19H2,1H3
InChIKeyCKNSIOVLFNIKKJ-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.35
Rot. Bonds2

About 1-(1-benzothiophen-3-ylmethyl)-5-methyl-2,3-dihydroindol-6-amine

1-(1-benzothiophen-3-ylmethyl)-5-methyl-2,3-dihydroindol-6-amine (PubChem CID 83211596) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-ylmethyl)-5-methyl-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-ylmethyl)-5-methyl-2,3-dihydroindol-6-amine
PubChem CID83211596
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name1-(1-benzothiophen-3-ylmethyl)-5-methyl-2,3-dihydroindol-6-amine
SMILESCc1cc2c(cc1N)N(Cc1csc3ccccc13)CC2
InChIInChI=1S/C18H18N2S/c1-12-8-13-6-7-20(17(13)9-16(12)19)10-14-11-21-18-5-3-2-4-15(14)18/h2-5,8-9,11H,6-7,10,19H2,1H3
InChIKeyCKNSIOVLFNIKKJ-UHFFFAOYSA-N
XLogP4.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(1-benzothiophen-3-ylmethyl)-5-methyl-2,3-dihydroindol-6-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 1-(1-benzothiophen-3-ylmethyl)-5-methyl-2,3-dihydroindol-6-amine?
The IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-5-methyl-2,3-dihydroindol-6-amine (CID 83211596) is 1-(1-benzothiophen-3-ylmethyl)-5-methyl-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-ylmethyl)-5-methyl-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-(1-benzothiophen-3-ylmethyl)-5-methyl-2,3-dihydroindol-6-amine is Cc1cc2c(cc1N)N(Cc1csc3ccccc13)CC2.
What is the InChIKey of 1-(1-benzothiophen-3-ylmethyl)-5-methyl-2,3-dihydroindol-6-amine?
The InChIKey is CKNSIOVLFNIKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-12-8-13-6-7-20(17(13)9-16(12)19)10-14-11-21-18-5-3-2-4-15(14)18/h2-5,8-9,11H,6-7,10,19H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-ylmethyl)-5-methyl-2,3-dihydroindol-6-amine?
1-(1-benzothiophen-3-ylmethyl)-5-methyl-2,3-dihydroindol-6-amine has a molecular weight of 294.42 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-ylmethyl)-5-methyl-2,3-dihydroindol-6-amine is sourced from PubChem (CID 83211596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).