1-benzyl-3,3-dimethyl-2H-indole

C17H19N — CID 14113269

IUPAC1-benzyl-3,3-dimethyl-2H-indole
SMILESCC1(C)CN(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C17H19N/c1-17(2)13-18(12-14-8-4-3-5-9-14)16-11-7-6-10-15(16)17/h3-11H,12-13H2,1-2H3
InChIKeyIUVLOTZERXIAKW-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.98
Rot. Bonds2

About 1-benzyl-3,3-dimethyl-2H-indole

1-benzyl-3,3-dimethyl-2H-indole (PubChem CID 14113269) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-benzyl-3,3-dimethyl-2H-indole.

Molecular Properties

Compound Name1-benzyl-3,3-dimethyl-2H-indole
PubChem CID14113269
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name1-benzyl-3,3-dimethyl-2H-indole
SMILESCC1(C)CN(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C17H19N/c1-17(2)13-18(12-14-8-4-3-5-9-14)16-11-7-6-10-15(16)17/h3-11H,12-13H2,1-2H3
InChIKeyIUVLOTZERXIAKW-UHFFFAOYSA-N
XLogP3.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,3-dimethyl-2H-indole?
The IUPAC name of 1-benzyl-3,3-dimethyl-2H-indole (CID 14113269) is 1-benzyl-3,3-dimethyl-2H-indole.
What is the SMILES notation for 1-benzyl-3,3-dimethyl-2H-indole?
The canonical SMILES for 1-benzyl-3,3-dimethyl-2H-indole is CC1(C)CN(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 1-benzyl-3,3-dimethyl-2H-indole?
The InChIKey is IUVLOTZERXIAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-17(2)13-18(12-14-8-4-3-5-9-14)16-11-7-6-10-15(16)17/h3-11H,12-13H2,1-2H3.
What are the key properties of 1-benzyl-3,3-dimethyl-2H-indole?
1-benzyl-3,3-dimethyl-2H-indole has a molecular weight of 237.35 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,3-dimethyl-2H-indole is sourced from PubChem (CID 14113269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).