1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine

C13H20N2O — CID 82277205

IUPAC1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine
SMILESCCOc1ccc2c(c1)C(CC(C)N)CN2
InChIInChI=1S/C13H20N2O/c1-3-16-11-4-5-13-12(7-11)10(8-15-13)6-9(2)14/h4-5,7,9-10,15H,3,6,8,14H2,1-2H3
InChIKeyVPHVESHNSXLACR-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.33
Rot. Bonds4

About 1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine

1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine (PubChem CID 82277205) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine
PubChem CID82277205
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine
SMILESCCOc1ccc2c(c1)C(CC(C)N)CN2
InChIInChI=1S/C13H20N2O/c1-3-16-11-4-5-13-12(7-11)10(8-15-13)6-9(2)14/h4-5,7,9-10,15H,3,6,8,14H2,1-2H3
InChIKeyVPHVESHNSXLACR-UHFFFAOYSA-N
XLogP2.33
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine?
The IUPAC name of 1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine (CID 82277205) is 1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine?
The canonical SMILES for 1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine is CCOc1ccc2c(c1)C(CC(C)N)CN2.
What is the InChIKey of 1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine?
The InChIKey is VPHVESHNSXLACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-16-11-4-5-13-12(7-11)10(8-15-13)6-9(2)14/h4-5,7,9-10,15H,3,6,8,14H2,1-2H3.
What are the key properties of 1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine?
1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine has a molecular weight of 220.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine is sourced from PubChem (CID 82277205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).