3-[(1-methoxy-2,3-dihydroinden-1-yl)oxy]propan-1-amine

C13H19NO2 — CID 57028367

IUPAC3-[(1-methoxy-2,3-dihydroinden-1-yl)oxy]propan-1-amine
SMILESCOC1(OCCCN)CCc2ccccc21
InChIInChI=1S/C13H19NO2/c1-15-13(16-10-4-9-14)8-7-11-5-2-3-6-12(11)13/h2-3,5-6H,4,7-10,14H2,1H3
InChIKeyMMMUJGHEHKIEPE-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.80
Rot. Bonds5

About 3-[(1-methoxy-2,3-dihydroinden-1-yl)oxy]propan-1-amine

3-[(1-methoxy-2,3-dihydroinden-1-yl)oxy]propan-1-amine (PubChem CID 57028367) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[(1-methoxy-2,3-dihydroinden-1-yl)oxy]propan-1-amine.

Molecular Properties

Compound Name3-[(1-methoxy-2,3-dihydroinden-1-yl)oxy]propan-1-amine
PubChem CID57028367
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-[(1-methoxy-2,3-dihydroinden-1-yl)oxy]propan-1-amine
SMILESCOC1(OCCCN)CCc2ccccc21
InChIInChI=1S/C13H19NO2/c1-15-13(16-10-4-9-14)8-7-11-5-2-3-6-12(11)13/h2-3,5-6H,4,7-10,14H2,1H3
InChIKeyMMMUJGHEHKIEPE-UHFFFAOYSA-N
XLogP1.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methoxy-2,3-dihydroinden-1-yl)oxy]propan-1-amine?
The IUPAC name of 3-[(1-methoxy-2,3-dihydroinden-1-yl)oxy]propan-1-amine (CID 57028367) is 3-[(1-methoxy-2,3-dihydroinden-1-yl)oxy]propan-1-amine.
What is the SMILES notation for 3-[(1-methoxy-2,3-dihydroinden-1-yl)oxy]propan-1-amine?
The canonical SMILES for 3-[(1-methoxy-2,3-dihydroinden-1-yl)oxy]propan-1-amine is COC1(OCCCN)CCc2ccccc21.
What is the InChIKey of 3-[(1-methoxy-2,3-dihydroinden-1-yl)oxy]propan-1-amine?
The InChIKey is MMMUJGHEHKIEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-13(16-10-4-9-14)8-7-11-5-2-3-6-12(11)13/h2-3,5-6H,4,7-10,14H2,1H3.
What are the key properties of 3-[(1-methoxy-2,3-dihydroinden-1-yl)oxy]propan-1-amine?
3-[(1-methoxy-2,3-dihydroinden-1-yl)oxy]propan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methoxy-2,3-dihydroinden-1-yl)oxy]propan-1-amine is sourced from PubChem (CID 57028367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).