5-methyl-1-(2-phenoxyethyl)-2,3-dihydroindol-6-amine

C17H20N2O — CID 83212872

IUPAC5-methyl-1-(2-phenoxyethyl)-2,3-dihydroindol-6-amine
SMILESCc1cc2c(cc1N)N(CCOc1ccccc1)CC2
InChIInChI=1S/C17H20N2O/c1-13-11-14-7-8-19(17(14)12-16(13)18)9-10-20-15-5-3-2-4-6-15/h2-6,11-12H,7-10,18H2,1H3
InChIKeyGOLCYMYVWCCTAM-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.02
Rot. Bonds4

About 5-methyl-1-(2-phenoxyethyl)-2,3-dihydroindol-6-amine

5-methyl-1-(2-phenoxyethyl)-2,3-dihydroindol-6-amine (PubChem CID 83212872) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-methyl-1-(2-phenoxyethyl)-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name5-methyl-1-(2-phenoxyethyl)-2,3-dihydroindol-6-amine
PubChem CID83212872
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name5-methyl-1-(2-phenoxyethyl)-2,3-dihydroindol-6-amine
SMILESCc1cc2c(cc1N)N(CCOc1ccccc1)CC2
InChIInChI=1S/C17H20N2O/c1-13-11-14-7-8-19(17(14)12-16(13)18)9-10-20-15-5-3-2-4-6-15/h2-6,11-12H,7-10,18H2,1H3
InChIKeyGOLCYMYVWCCTAM-UHFFFAOYSA-N
XLogP3.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-phenoxyethyl)-2,3-dihydroindol-6-amine?
The IUPAC name of 5-methyl-1-(2-phenoxyethyl)-2,3-dihydroindol-6-amine (CID 83212872) is 5-methyl-1-(2-phenoxyethyl)-2,3-dihydroindol-6-amine.
What is the SMILES notation for 5-methyl-1-(2-phenoxyethyl)-2,3-dihydroindol-6-amine?
The canonical SMILES for 5-methyl-1-(2-phenoxyethyl)-2,3-dihydroindol-6-amine is Cc1cc2c(cc1N)N(CCOc1ccccc1)CC2.
What is the InChIKey of 5-methyl-1-(2-phenoxyethyl)-2,3-dihydroindol-6-amine?
The InChIKey is GOLCYMYVWCCTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-11-14-7-8-19(17(14)12-16(13)18)9-10-20-15-5-3-2-4-6-15/h2-6,11-12H,7-10,18H2,1H3.
What are the key properties of 5-methyl-1-(2-phenoxyethyl)-2,3-dihydroindol-6-amine?
5-methyl-1-(2-phenoxyethyl)-2,3-dihydroindol-6-amine has a molecular weight of 268.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-phenoxyethyl)-2,3-dihydroindol-6-amine is sourced from PubChem (CID 83212872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).