1-(2-propoxyethyl)indol-7-amine

C13H18N2O — CID 106452734

IUPAC1-(2-propoxyethyl)indol-7-amine
SMILESCCCOCCn1ccc2cccc(N)c21
InChIInChI=1S/C13H18N2O/c1-2-9-16-10-8-15-7-6-11-4-3-5-12(14)13(11)15/h3-7H,2,8-10,14H2,1H3
InChIKeyVBIQTNYHLNJLSI-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.65
Rot. Bonds5

About 1-(2-propoxyethyl)indol-7-amine

1-(2-propoxyethyl)indol-7-amine (PubChem CID 106452734) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(2-propoxyethyl)indol-7-amine.

Molecular Properties

Compound Name1-(2-propoxyethyl)indol-7-amine
PubChem CID106452734
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(2-propoxyethyl)indol-7-amine
SMILESCCCOCCn1ccc2cccc(N)c21
InChIInChI=1S/C13H18N2O/c1-2-9-16-10-8-15-7-6-11-4-3-5-12(14)13(11)15/h3-7H,2,8-10,14H2,1H3
InChIKeyVBIQTNYHLNJLSI-UHFFFAOYSA-N
XLogP2.65
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propoxyethyl)indol-7-amine?
The IUPAC name of 1-(2-propoxyethyl)indol-7-amine (CID 106452734) is 1-(2-propoxyethyl)indol-7-amine.
What is the SMILES notation for 1-(2-propoxyethyl)indol-7-amine?
The canonical SMILES for 1-(2-propoxyethyl)indol-7-amine is CCCOCCn1ccc2cccc(N)c21.
What is the InChIKey of 1-(2-propoxyethyl)indol-7-amine?
The InChIKey is VBIQTNYHLNJLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-9-16-10-8-15-7-6-11-4-3-5-12(14)13(11)15/h3-7H,2,8-10,14H2,1H3.
What are the key properties of 1-(2-propoxyethyl)indol-7-amine?
1-(2-propoxyethyl)indol-7-amine has a molecular weight of 218.30 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propoxyethyl)indol-7-amine is sourced from PubChem (CID 106452734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).