1-(4-methylsulfanylphenyl)-2,3-dihydroindol-5-amine

C15H16N2S — CID 123534030

IUPAC1-(4-methylsulfanylphenyl)-2,3-dihydroindol-5-amine
SMILESCSc1ccc(N2CCc3cc(N)ccc32)cc1
InChIInChI=1S/C15H16N2S/c1-18-14-5-3-13(4-6-14)17-9-8-11-10-12(16)2-7-15(11)17/h2-7,10H,8-9,16H2,1H3
InChIKeyORAYIPYRJDUMLR-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.68
Rot. Bonds2

About 1-(4-methylsulfanylphenyl)-2,3-dihydroindol-5-amine

1-(4-methylsulfanylphenyl)-2,3-dihydroindol-5-amine (PubChem CID 123534030) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)-2,3-dihydroindol-5-amine.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)-2,3-dihydroindol-5-amine
PubChem CID123534030
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Name1-(4-methylsulfanylphenyl)-2,3-dihydroindol-5-amine
SMILESCSc1ccc(N2CCc3cc(N)ccc32)cc1
InChIInChI=1S/C15H16N2S/c1-18-14-5-3-13(4-6-14)17-9-8-11-10-12(16)2-7-15(11)17/h2-7,10H,8-9,16H2,1H3
InChIKeyORAYIPYRJDUMLR-UHFFFAOYSA-N
XLogP3.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)-2,3-dihydroindol-5-amine?
The IUPAC name of 1-(4-methylsulfanylphenyl)-2,3-dihydroindol-5-amine (CID 123534030) is 1-(4-methylsulfanylphenyl)-2,3-dihydroindol-5-amine.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)-2,3-dihydroindol-5-amine?
The canonical SMILES for 1-(4-methylsulfanylphenyl)-2,3-dihydroindol-5-amine is CSc1ccc(N2CCc3cc(N)ccc32)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)-2,3-dihydroindol-5-amine?
The InChIKey is ORAYIPYRJDUMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S/c1-18-14-5-3-13(4-6-14)17-9-8-11-10-12(16)2-7-15(11)17/h2-7,10H,8-9,16H2,1H3.
What are the key properties of 1-(4-methylsulfanylphenyl)-2,3-dihydroindol-5-amine?
1-(4-methylsulfanylphenyl)-2,3-dihydroindol-5-amine has a molecular weight of 256.37 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)-2,3-dihydroindol-5-amine is sourced from PubChem (CID 123534030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).