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

C18H21N — CID 3613734

IUPAC2-(3,4-dimethylphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole
SMILESCc1ccc(C2Cc3c(C)ccc(C)c3N2)cc1C
InChIInChI=1S/C18H21N/c1-11-7-8-15(9-14(11)4)17-10-16-12(2)5-6-13(3)18(16)19-17/h5-9,17,19H,10H2,1-4H3
InChIKeyXJCOEVAYIYYKTN-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.63
Rot. Bonds1

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

2-(3,4-dimethylphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole (PubChem CID 3613734) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole
PubChem CID3613734
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name2-(3,4-dimethylphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole
SMILESCc1ccc(C2Cc3c(C)ccc(C)c3N2)cc1C
InChIInChI=1S/C18H21N/c1-11-7-8-15(9-14(11)4)17-10-16-12(2)5-6-13(3)18(16)19-17/h5-9,17,19H,10H2,1-4H3
InChIKeyXJCOEVAYIYYKTN-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.63
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)-4,7-dimethyl-2,3-dihydro-1H-indole?
The IUPAC name of 2-(3,4-dimethylphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole (CID 3613734) is 2-(3,4-dimethylphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(3,4-dimethylphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole is Cc1ccc(C2Cc3c(C)ccc(C)c3N2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole?
The InChIKey is XJCOEVAYIYYKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-11-7-8-15(9-14(11)4)17-10-16-12(2)5-6-13(3)18(16)19-17/h5-9,17,19H,10H2,1-4H3.
What are the key properties of 2-(3,4-dimethylphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole?
2-(3,4-dimethylphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole has a molecular weight of 251.37 g/mol, XLogP of 4.63, 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)-4,7-dimethyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 3613734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).