(2S)-3,3-dimethyl-2-phenyl-1,2-dihydroindole

C16H17N — CID 134968968

IUPAC(2S)-3,3-dimethyl-2-phenyl-1,2-dihydroindole
SMILESCC1(C)c2ccccc2N[C@H]1c1ccccc1
InChIInChI=1S/C16H17N/c1-16(2)13-10-6-7-11-14(13)17-15(16)12-8-4-3-5-9-12/h3-11,15,17H,1-2H3/t15-/m0/s1
InChIKeyGBOHOKPJIMHHAH-HNNXBMFYSA-N
MW223.32 g/mol
LogP4.13
Rot. Bonds1

About (2S)-3,3-dimethyl-2-phenyl-1,2-dihydroindole

(2S)-3,3-dimethyl-2-phenyl-1,2-dihydroindole (PubChem CID 134968968) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is (2S)-3,3-dimethyl-2-phenyl-1,2-dihydroindole.

Molecular Properties

Compound Name(2S)-3,3-dimethyl-2-phenyl-1,2-dihydroindole
PubChem CID134968968
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name(2S)-3,3-dimethyl-2-phenyl-1,2-dihydroindole
SMILESCC1(C)c2ccccc2N[C@H]1c1ccccc1
InChIInChI=1S/C16H17N/c1-16(2)13-10-6-7-11-14(13)17-15(16)12-8-4-3-5-9-12/h3-11,15,17H,1-2H3/t15-/m0/s1
InChIKeyGBOHOKPJIMHHAH-HNNXBMFYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-dimethyl-2-phenyl-1,2-dihydroindole?
The IUPAC name of (2S)-3,3-dimethyl-2-phenyl-1,2-dihydroindole (CID 134968968) is (2S)-3,3-dimethyl-2-phenyl-1,2-dihydroindole.
What is the SMILES notation for (2S)-3,3-dimethyl-2-phenyl-1,2-dihydroindole?
The canonical SMILES for (2S)-3,3-dimethyl-2-phenyl-1,2-dihydroindole is CC1(C)c2ccccc2N[C@H]1c1ccccc1.
What is the InChIKey of (2S)-3,3-dimethyl-2-phenyl-1,2-dihydroindole?
The InChIKey is GBOHOKPJIMHHAH-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17N/c1-16(2)13-10-6-7-11-14(13)17-15(16)12-8-4-3-5-9-12/h3-11,15,17H,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-3,3-dimethyl-2-phenyl-1,2-dihydroindole?
(2S)-3,3-dimethyl-2-phenyl-1,2-dihydroindole has a molecular weight of 223.32 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-dimethyl-2-phenyl-1,2-dihydroindole is sourced from PubChem (CID 134968968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).