2-(2,4-dimethylphenyl)-5-methoxy-2,3-dihydro-1H-indole

C17H19NO — CID 4046261

IUPAC2-(2,4-dimethylphenyl)-5-methoxy-2,3-dihydro-1H-indole
SMILESCOc1ccc2c(c1)CC(c1ccc(C)cc1C)N2
InChIInChI=1S/C17H19NO/c1-11-4-6-15(12(2)8-11)17-10-13-9-14(19-3)5-7-16(13)18-17/h4-9,17-18H,10H2,1-3H3
InChIKeyNOGHQFXOFCUBMK-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.02
Rot. Bonds2

About 2-(2,4-dimethylphenyl)-5-methoxy-2,3-dihydro-1H-indole

2-(2,4-dimethylphenyl)-5-methoxy-2,3-dihydro-1H-indole (PubChem CID 4046261) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-5-methoxy-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-5-methoxy-2,3-dihydro-1H-indole
PubChem CID4046261
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name2-(2,4-dimethylphenyl)-5-methoxy-2,3-dihydro-1H-indole
SMILESCOc1ccc2c(c1)CC(c1ccc(C)cc1C)N2
InChIInChI=1S/C17H19NO/c1-11-4-6-15(12(2)8-11)17-10-13-9-14(19-3)5-7-16(13)18-17/h4-9,17-18H,10H2,1-3H3
InChIKeyNOGHQFXOFCUBMK-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-tert-butyl-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-indole
CID 3879014
5-ethoxy-2-(2-methoxy-5-methylphenyl)-2,3-dihydro-1H-indole
CID 4271065
5-methoxy-3-(5-methoxy-2,3-dihydro-1H-indol-2-yl)-1H-indole
CID 15254976
4,6-dichloro-2-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-indole
CID 3987920
5-ethoxy-2-(2-methylphenyl)-2,3-dihydro-1H-indole
CID 4656228
(2R)-2-(4-methoxy-2-methylphenyl)azetidine
CID 130623728
1-(5-methoxy-2,3-dihydro-1H-indol-2-yl)-N,N-dimethylmethanamine
CID 84739877
(4S)-4-(4-methoxy-2-methylphenyl)imidazolidin-2-one
CID 171252808
2-(5-methoxy-2,3-dihydro-1H-indol-2-yl)acetaldehyde
CID 112710978
(2S)-2-(4-methoxy-2-methylphenyl)azepane
CID 26189003
2-(2-methoxyphenyl)-5-phenylmethoxy-2,3-dihydro-1H-indole
CID 142624947
6-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 12715494

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-5-methoxy-2,3-dihydro-1H-indole?
The IUPAC name of 2-(2,4-dimethylphenyl)-5-methoxy-2,3-dihydro-1H-indole (CID 4046261) is 2-(2,4-dimethylphenyl)-5-methoxy-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-5-methoxy-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(2,4-dimethylphenyl)-5-methoxy-2,3-dihydro-1H-indole is COc1ccc2c(c1)CC(c1ccc(C)cc1C)N2.
What is the InChIKey of 2-(2,4-dimethylphenyl)-5-methoxy-2,3-dihydro-1H-indole?
The InChIKey is NOGHQFXOFCUBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-11-4-6-15(12(2)8-11)17-10-13-9-14(19-3)5-7-16(13)18-17/h4-9,17-18H,10H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenyl)-5-methoxy-2,3-dihydro-1H-indole?
2-(2,4-dimethylphenyl)-5-methoxy-2,3-dihydro-1H-indole has a molecular weight of 253.34 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-5-methoxy-2,3-dihydro-1H-indole is sourced from PubChem (CID 4046261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).