1-propan-2-yl-3-(propan-2-yloxymethyl)indol-7-amine

C15H22N2O — CID 117182559

IUPAC1-propan-2-yl-3-(propan-2-yloxymethyl)indol-7-amine
SMILESCC(C)OCc1cn(C(C)C)c2c(N)cccc12
InChIInChI=1S/C15H22N2O/c1-10(2)17-8-12(9-18-11(3)4)13-6-5-7-14(16)15(13)17/h5-8,10-11H,9,16H2,1-4H3
InChIKeySHIGKEXXUQNSIO-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.73
Rot. Bonds4

About 1-propan-2-yl-3-(propan-2-yloxymethyl)indol-7-amine

1-propan-2-yl-3-(propan-2-yloxymethyl)indol-7-amine (PubChem CID 117182559) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-propan-2-yl-3-(propan-2-yloxymethyl)indol-7-amine.

Molecular Properties

Compound Name1-propan-2-yl-3-(propan-2-yloxymethyl)indol-7-amine
PubChem CID117182559
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-propan-2-yl-3-(propan-2-yloxymethyl)indol-7-amine
SMILESCC(C)OCc1cn(C(C)C)c2c(N)cccc12
InChIInChI=1S/C15H22N2O/c1-10(2)17-8-12(9-18-11(3)4)13-6-5-7-14(16)15(13)17/h5-8,10-11H,9,16H2,1-4H3
InChIKeySHIGKEXXUQNSIO-UHFFFAOYSA-N
XLogP3.73
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.73
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-propan-2-yl-3-(propan-2-yloxymethyl)indol-7-amine?
The IUPAC name of 1-propan-2-yl-3-(propan-2-yloxymethyl)indol-7-amine (CID 117182559) is 1-propan-2-yl-3-(propan-2-yloxymethyl)indol-7-amine.
What is the SMILES notation for 1-propan-2-yl-3-(propan-2-yloxymethyl)indol-7-amine?
The canonical SMILES for 1-propan-2-yl-3-(propan-2-yloxymethyl)indol-7-amine is CC(C)OCc1cn(C(C)C)c2c(N)cccc12.
What is the InChIKey of 1-propan-2-yl-3-(propan-2-yloxymethyl)indol-7-amine?
The InChIKey is SHIGKEXXUQNSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(2)17-8-12(9-18-11(3)4)13-6-5-7-14(16)15(13)17/h5-8,10-11H,9,16H2,1-4H3.
What are the key properties of 1-propan-2-yl-3-(propan-2-yloxymethyl)indol-7-amine?
1-propan-2-yl-3-(propan-2-yloxymethyl)indol-7-amine has a molecular weight of 246.35 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(propan-2-yloxymethyl)indol-7-amine is sourced from PubChem (CID 117182559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).