1-ethyl-3-(propan-2-yloxymethyl)indol-5-amine

C14H20N2O — CID 117175669

IUPAC1-ethyl-3-(propan-2-yloxymethyl)indol-5-amine
SMILESCCn1cc(COC(C)C)c2cc(N)ccc21
InChIInChI=1S/C14H20N2O/c1-4-16-8-11(9-17-10(2)3)13-7-12(15)5-6-14(13)16/h5-8,10H,4,9,15H2,1-3H3
InChIKeyDPLORYUSMGZNJX-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.17
Rot. Bonds4

About 1-ethyl-3-(propan-2-yloxymethyl)indol-5-amine

1-ethyl-3-(propan-2-yloxymethyl)indol-5-amine (PubChem CID 117175669) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-ethyl-3-(propan-2-yloxymethyl)indol-5-amine.

Molecular Properties

Compound Name1-ethyl-3-(propan-2-yloxymethyl)indol-5-amine
PubChem CID117175669
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-ethyl-3-(propan-2-yloxymethyl)indol-5-amine
SMILESCCn1cc(COC(C)C)c2cc(N)ccc21
InChIInChI=1S/C14H20N2O/c1-4-16-8-11(9-17-10(2)3)13-7-12(15)5-6-14(13)16/h5-8,10H,4,9,15H2,1-3H3
InChIKeyDPLORYUSMGZNJX-UHFFFAOYSA-N
XLogP3.17
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.17
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 1-ethyl-3-(propan-2-yloxymethyl)indol-5-amine?
The IUPAC name of 1-ethyl-3-(propan-2-yloxymethyl)indol-5-amine (CID 117175669) is 1-ethyl-3-(propan-2-yloxymethyl)indol-5-amine.
What is the SMILES notation for 1-ethyl-3-(propan-2-yloxymethyl)indol-5-amine?
The canonical SMILES for 1-ethyl-3-(propan-2-yloxymethyl)indol-5-amine is CCn1cc(COC(C)C)c2cc(N)ccc21.
What is the InChIKey of 1-ethyl-3-(propan-2-yloxymethyl)indol-5-amine?
The InChIKey is DPLORYUSMGZNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-16-8-11(9-17-10(2)3)13-7-12(15)5-6-14(13)16/h5-8,10H,4,9,15H2,1-3H3.
What are the key properties of 1-ethyl-3-(propan-2-yloxymethyl)indol-5-amine?
1-ethyl-3-(propan-2-yloxymethyl)indol-5-amine has a molecular weight of 232.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(propan-2-yloxymethyl)indol-5-amine is sourced from PubChem (CID 117175669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).