5-tert-butyl-2-phenyl-4,5,6,7-tetrahydro-1H-indole

C18H23N — CID 23241207

IUPAC5-tert-butyl-2-phenyl-4,5,6,7-tetrahydro-1H-indole
SMILESCC(C)(C)C1CCc2[nH]c(-c3ccccc3)cc2C1
InChIInChI=1S/C18H23N/c1-18(2,3)15-9-10-16-14(11-15)12-17(19-16)13-7-5-4-6-8-13/h4-8,12,15,19H,9-11H2,1-3H3
InChIKeyMMJIPRYFEJVDMX-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.83
Rot. Bonds1

About 5-tert-butyl-2-phenyl-4,5,6,7-tetrahydro-1H-indole

5-tert-butyl-2-phenyl-4,5,6,7-tetrahydro-1H-indole (PubChem CID 23241207) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 5-tert-butyl-2-phenyl-4,5,6,7-tetrahydro-1H-indole.

Molecular Properties

Compound Name5-tert-butyl-2-phenyl-4,5,6,7-tetrahydro-1H-indole
PubChem CID23241207
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name5-tert-butyl-2-phenyl-4,5,6,7-tetrahydro-1H-indole
SMILESCC(C)(C)C1CCc2[nH]c(-c3ccccc3)cc2C1
InChIInChI=1S/C18H23N/c1-18(2,3)15-9-10-16-14(11-15)12-17(19-16)13-7-5-4-6-8-13/h4-8,12,15,19H,9-11H2,1-3H3
InChIKeyMMJIPRYFEJVDMX-UHFFFAOYSA-N
XLogP4.83
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-phenyl-4,5,6,7-tetrahydro-1H-indole?
The IUPAC name of 5-tert-butyl-2-phenyl-4,5,6,7-tetrahydro-1H-indole (CID 23241207) is 5-tert-butyl-2-phenyl-4,5,6,7-tetrahydro-1H-indole.
What is the SMILES notation for 5-tert-butyl-2-phenyl-4,5,6,7-tetrahydro-1H-indole?
The canonical SMILES for 5-tert-butyl-2-phenyl-4,5,6,7-tetrahydro-1H-indole is CC(C)(C)C1CCc2[nH]c(-c3ccccc3)cc2C1.
What is the InChIKey of 5-tert-butyl-2-phenyl-4,5,6,7-tetrahydro-1H-indole?
The InChIKey is MMJIPRYFEJVDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-18(2,3)15-9-10-16-14(11-15)12-17(19-16)13-7-5-4-6-8-13/h4-8,12,15,19H,9-11H2,1-3H3.
What are the key properties of 5-tert-butyl-2-phenyl-4,5,6,7-tetrahydro-1H-indole?
5-tert-butyl-2-phenyl-4,5,6,7-tetrahydro-1H-indole has a molecular weight of 253.39 g/mol, XLogP of 4.83, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-phenyl-4,5,6,7-tetrahydro-1H-indole is sourced from PubChem (CID 23241207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).