3-(2-phenylbutan-2-yl)-2,3-dihydro-1H-indole

C18H21N — CID 6612029

IUPAC3-(2-phenylbutan-2-yl)-2,3-dihydro-1H-indole
SMILESCCC(C)(c1ccccc1)C1CNc2ccccc21
InChIInChI=1S/C18H21N/c1-3-18(2,14-9-5-4-6-10-14)16-13-19-17-12-8-7-11-15(16)17/h4-12,16,19H,3,13H2,1-2H3
InChIKeyZARYWWBNZPSIGT-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.56
Rot. Bonds3

About 3-(2-phenylbutan-2-yl)-2,3-dihydro-1H-indole

3-(2-phenylbutan-2-yl)-2,3-dihydro-1H-indole (PubChem CID 6612029) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-(2-phenylbutan-2-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-(2-phenylbutan-2-yl)-2,3-dihydro-1H-indole
PubChem CID6612029
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name3-(2-phenylbutan-2-yl)-2,3-dihydro-1H-indole
SMILESCCC(C)(c1ccccc1)C1CNc2ccccc21
InChIInChI=1S/C18H21N/c1-3-18(2,14-9-5-4-6-10-14)16-13-19-17-12-8-7-11-15(16)17/h4-12,16,19H,3,13H2,1-2H3
InChIKeyZARYWWBNZPSIGT-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylbutan-2-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 3-(2-phenylbutan-2-yl)-2,3-dihydro-1H-indole (CID 6612029) is 3-(2-phenylbutan-2-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-(2-phenylbutan-2-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 3-(2-phenylbutan-2-yl)-2,3-dihydro-1H-indole is CCC(C)(c1ccccc1)C1CNc2ccccc21.
What is the InChIKey of 3-(2-phenylbutan-2-yl)-2,3-dihydro-1H-indole?
The InChIKey is ZARYWWBNZPSIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-3-18(2,14-9-5-4-6-10-14)16-13-19-17-12-8-7-11-15(16)17/h4-12,16,19H,3,13H2,1-2H3.
What are the key properties of 3-(2-phenylbutan-2-yl)-2,3-dihydro-1H-indole?
3-(2-phenylbutan-2-yl)-2,3-dihydro-1H-indole has a molecular weight of 251.37 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylbutan-2-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 6612029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).