5-tert-butyl-2-(3-methylphenyl)-2,3-dihydro-1H-indole

C19H23N — CID 3872880

IUPAC5-tert-butyl-2-(3-methylphenyl)-2,3-dihydro-1H-indole
SMILESCc1cccc(C2Cc3cc(C(C)(C)C)ccc3N2)c1
InChIInChI=1S/C19H23N/c1-13-6-5-7-14(10-13)18-12-15-11-16(19(2,3)4)8-9-17(15)20-18/h5-11,18,20H,12H2,1-4H3
InChIKeyGLDLYXFBSNNNRD-UHFFFAOYSA-N
MW265.40 g/mol
LogP5.00
Rot. Bonds1

About 5-tert-butyl-2-(3-methylphenyl)-2,3-dihydro-1H-indole

5-tert-butyl-2-(3-methylphenyl)-2,3-dihydro-1H-indole (PubChem CID 3872880) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 5-tert-butyl-2-(3-methylphenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-tert-butyl-2-(3-methylphenyl)-2,3-dihydro-1H-indole
PubChem CID3872880
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name5-tert-butyl-2-(3-methylphenyl)-2,3-dihydro-1H-indole
SMILESCc1cccc(C2Cc3cc(C(C)(C)C)ccc3N2)c1
InChIInChI=1S/C19H23N/c1-13-6-5-7-14(10-13)18-12-15-11-16(19(2,3)4)8-9-17(15)20-18/h5-11,18,20H,12H2,1-4H3
InChIKeyGLDLYXFBSNNNRD-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.40
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(3-methylphenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-tert-butyl-2-(3-methylphenyl)-2,3-dihydro-1H-indole (CID 3872880) is 5-tert-butyl-2-(3-methylphenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-tert-butyl-2-(3-methylphenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-tert-butyl-2-(3-methylphenyl)-2,3-dihydro-1H-indole is Cc1cccc(C2Cc3cc(C(C)(C)C)ccc3N2)c1.
What is the InChIKey of 5-tert-butyl-2-(3-methylphenyl)-2,3-dihydro-1H-indole?
The InChIKey is GLDLYXFBSNNNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-13-6-5-7-14(10-13)18-12-15-11-16(19(2,3)4)8-9-17(15)20-18/h5-11,18,20H,12H2,1-4H3.
What are the key properties of 5-tert-butyl-2-(3-methylphenyl)-2,3-dihydro-1H-indole?
5-tert-butyl-2-(3-methylphenyl)-2,3-dihydro-1H-indole has a molecular weight of 265.40 g/mol, XLogP of 5.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(3-methylphenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 3872880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).