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

C16H17N — CID 11075021

IUPAC3,3-dimethyl-1-phenyl-2H-indole
SMILESCC1(C)CN(c2ccccc2)c2ccccc21
InChIInChI=1S/C16H17N/c1-16(2)12-17(13-8-4-3-5-9-13)15-11-7-6-10-14(15)16/h3-11H,12H2,1-2H3
InChIKeyBLTILTVNUCYCQZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP4.12
Rot. Bonds1

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

3,3-dimethyl-1-phenyl-2H-indole (PubChem CID 11075021) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 3,3-dimethyl-1-phenyl-2H-indole.

Molecular Properties

Compound Name3,3-dimethyl-1-phenyl-2H-indole
PubChem CID11075021
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name3,3-dimethyl-1-phenyl-2H-indole
SMILESCC1(C)CN(c2ccccc2)c2ccccc21
InChIInChI=1S/C16H17N/c1-16(2)12-17(13-8-4-3-5-9-13)15-11-7-6-10-14(15)16/h3-11H,12H2,1-2H3
InChIKeyBLTILTVNUCYCQZ-UHFFFAOYSA-N
XLogP4.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3-dimethyl-1-phenyl-2H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Imipramine
CID 3696
Trimipramine
CID 5584
Imipramine Hydrochloride
CID 8228
Dimetacrine
CID 94280
N-Ethyl-N-benzylaniline
CID 7098
Depramine
CID 67534
1,3,3-Trimethyl-2-methyleneindoline
CID 8351
Histapyrrodine
CID 68122
3H-Indolium, 2-(7-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3,5-heptatrien-1-yl)-1,3,3-trimethyl-, perchlorate (1:1)
CID 5702731
1,1'-Diethyl-3,3,3',3'-tetramethylindocarbocyanine Iodide
CID 16212367
2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride
CID 6540442
4,4'-methylenebis[N,N-diethylaniline]
CID 67288

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-phenyl-2H-indole?
The IUPAC name of 3,3-dimethyl-1-phenyl-2H-indole (CID 11075021) is 3,3-dimethyl-1-phenyl-2H-indole.
What is the SMILES notation for 3,3-dimethyl-1-phenyl-2H-indole?
The canonical SMILES for 3,3-dimethyl-1-phenyl-2H-indole is CC1(C)CN(c2ccccc2)c2ccccc21.
What is the InChIKey of 3,3-dimethyl-1-phenyl-2H-indole?
The InChIKey is BLTILTVNUCYCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-16(2)12-17(13-8-4-3-5-9-13)15-11-7-6-10-14(15)16/h3-11H,12H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-phenyl-2H-indole?
3,3-dimethyl-1-phenyl-2H-indole has a molecular weight of 223.32 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-phenyl-2H-indole is sourced from PubChem (CID 11075021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).