1-methyl-2-(propan-2-yloxymethyl)indol-5-amine

C13H18N2O — CID 117176882

IUPAC1-methyl-2-(propan-2-yloxymethyl)indol-5-amine
SMILESCC(C)OCc1cc2cc(N)ccc2n1C
InChIInChI=1S/C13H18N2O/c1-9(2)16-8-12-7-10-6-11(14)4-5-13(10)15(12)3/h4-7,9H,8,14H2,1-3H3
InChIKeyQIYVQIWIFDECEK-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.69
Rot. Bonds3

About 1-methyl-2-(propan-2-yloxymethyl)indol-5-amine

1-methyl-2-(propan-2-yloxymethyl)indol-5-amine (PubChem CID 117176882) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-methyl-2-(propan-2-yloxymethyl)indol-5-amine.

Molecular Properties

Compound Name1-methyl-2-(propan-2-yloxymethyl)indol-5-amine
PubChem CID117176882
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-methyl-2-(propan-2-yloxymethyl)indol-5-amine
SMILESCC(C)OCc1cc2cc(N)ccc2n1C
InChIInChI=1S/C13H18N2O/c1-9(2)16-8-12-7-10-6-11(14)4-5-13(10)15(12)3/h4-7,9H,8,14H2,1-3H3
InChIKeyQIYVQIWIFDECEK-UHFFFAOYSA-N
XLogP2.69
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.69
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-methyl-2-(propan-2-yloxymethyl)indol-5-amine?
The IUPAC name of 1-methyl-2-(propan-2-yloxymethyl)indol-5-amine (CID 117176882) is 1-methyl-2-(propan-2-yloxymethyl)indol-5-amine.
What is the SMILES notation for 1-methyl-2-(propan-2-yloxymethyl)indol-5-amine?
The canonical SMILES for 1-methyl-2-(propan-2-yloxymethyl)indol-5-amine is CC(C)OCc1cc2cc(N)ccc2n1C.
What is the InChIKey of 1-methyl-2-(propan-2-yloxymethyl)indol-5-amine?
The InChIKey is QIYVQIWIFDECEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(2)16-8-12-7-10-6-11(14)4-5-13(10)15(12)3/h4-7,9H,8,14H2,1-3H3.
What are the key properties of 1-methyl-2-(propan-2-yloxymethyl)indol-5-amine?
1-methyl-2-(propan-2-yloxymethyl)indol-5-amine has a molecular weight of 218.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(propan-2-yloxymethyl)indol-5-amine is sourced from PubChem (CID 117176882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).