2-(3,4-dimethylphenyl)-7-methyl-2,3-dihydro-1H-indole

C17H19N — CID 3984068

IUPAC2-(3,4-dimethylphenyl)-7-methyl-2,3-dihydro-1H-indole
SMILESCc1ccc(C2Cc3cccc(C)c3N2)cc1C
InChIInChI=1S/C17H19N/c1-11-7-8-14(9-13(11)3)16-10-15-6-4-5-12(2)17(15)18-16/h4-9,16,18H,10H2,1-3H3
InChIKeyUVTNXRIWVAMIFY-UHFFFAOYSA-N
MW237.35 g/mol
LogP4.32
Rot. Bonds1

About 2-(3,4-dimethylphenyl)-7-methyl-2,3-dihydro-1H-indole

2-(3,4-dimethylphenyl)-7-methyl-2,3-dihydro-1H-indole (PubChem CID 3984068) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-7-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-7-methyl-2,3-dihydro-1H-indole
PubChem CID3984068
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name2-(3,4-dimethylphenyl)-7-methyl-2,3-dihydro-1H-indole
SMILESCc1ccc(C2Cc3cccc(C)c3N2)cc1C
InChIInChI=1S/C17H19N/c1-11-7-8-14(9-13(11)3)16-10-15-6-4-5-12(2)17(15)18-16/h4-9,16,18H,10H2,1-3H3
InChIKeyUVTNXRIWVAMIFY-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-7-methyl-2,3-dihydro-1H-indole?
The IUPAC name of 2-(3,4-dimethylphenyl)-7-methyl-2,3-dihydro-1H-indole (CID 3984068) is 2-(3,4-dimethylphenyl)-7-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-7-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(3,4-dimethylphenyl)-7-methyl-2,3-dihydro-1H-indole is Cc1ccc(C2Cc3cccc(C)c3N2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-7-methyl-2,3-dihydro-1H-indole?
The InChIKey is UVTNXRIWVAMIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-11-7-8-14(9-13(11)3)16-10-15-6-4-5-12(2)17(15)18-16/h4-9,16,18H,10H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-7-methyl-2,3-dihydro-1H-indole?
2-(3,4-dimethylphenyl)-7-methyl-2,3-dihydro-1H-indole has a molecular weight of 237.35 g/mol, XLogP of 4.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-7-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 3984068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).