3-(1H-indol-5-yloxy)propan-1-amine

C11H14N2O — CID 84662713

IUPAC3-(1H-indol-5-yloxy)propan-1-amine
SMILESNCCCOc1ccc2[nH]ccc2c1
InChIInChI=1S/C11H14N2O/c12-5-1-7-14-10-2-3-11-9(8-10)4-6-13-11/h2-4,6,8,13H,1,5,7,12H2
InChIKeyIAGPHMRWQNILNG-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.90
Rot. Bonds4

About 3-(1H-indol-5-yloxy)propan-1-amine

3-(1H-indol-5-yloxy)propan-1-amine (PubChem CID 84662713) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-(1H-indol-5-yloxy)propan-1-amine.

Molecular Properties

Compound Name3-(1H-indol-5-yloxy)propan-1-amine
PubChem CID84662713
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-(1H-indol-5-yloxy)propan-1-amine
SMILESNCCCOc1ccc2[nH]ccc2c1
InChIInChI=1S/C11H14N2O/c12-5-1-7-14-10-2-3-11-9(8-10)4-6-13-11/h2-4,6,8,13H,1,5,7,12H2
InChIKeyIAGPHMRWQNILNG-UHFFFAOYSA-N
XLogP1.90
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-indol-5-yloxy)ethanamine
CID 84655544
5-heptoxy-1H-indole
CID 80642434
5-pent-4-ynoxy-1H-indole
CID 112548784
5-[2-(4-bromophenoxy)ethoxy]-1H-indole
CID 80640825
5-(2-pyridin-4-ylethoxy)-1H-indole
CID 80643578
5-(2-ethylsulfanylethoxy)-1H-indole
CID 115967778
5-(2-methylprop-2-enoxy)-1H-indole
CID 80641089
4-(1H-indol-5-yloxymethyl)phenol
CID 80641928
3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
CID 3650737
5-[2-(oxolan-2-yl)ethoxy]-1H-indole
CID 80643511
5-[(2-butoxyphenyl)methoxy]-1H-indole
CID 67917034
5-[2-(2-methylimidazol-1-yl)ethoxy]-1H-indole
CID 80640824

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-5-yloxy)propan-1-amine?
The IUPAC name of 3-(1H-indol-5-yloxy)propan-1-amine (CID 84662713) is 3-(1H-indol-5-yloxy)propan-1-amine.
What is the SMILES notation for 3-(1H-indol-5-yloxy)propan-1-amine?
The canonical SMILES for 3-(1H-indol-5-yloxy)propan-1-amine is NCCCOc1ccc2[nH]ccc2c1.
What is the InChIKey of 3-(1H-indol-5-yloxy)propan-1-amine?
The InChIKey is IAGPHMRWQNILNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c12-5-1-7-14-10-2-3-11-9(8-10)4-6-13-11/h2-4,6,8,13H,1,5,7,12H2.
What are the key properties of 3-(1H-indol-5-yloxy)propan-1-amine?
3-(1H-indol-5-yloxy)propan-1-amine has a molecular weight of 190.25 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-5-yloxy)propan-1-amine is sourced from PubChem (CID 84662713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).