1-[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]propan-2-amine

C17H26N2O — CID 106457568

IUPAC1-[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]propan-2-amine
SMILESCC(C)COCCn1ccc2cccc(CC(C)N)c21
InChIInChI=1S/C17H26N2O/c1-13(2)12-20-10-9-19-8-7-15-5-4-6-16(17(15)19)11-14(3)18/h4-8,13-14H,9-12,18H2,1-3H3
InChIKeyIBGLHUHLEMCSEV-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.20
Rot. Bonds7

About 1-[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]propan-2-amine

1-[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]propan-2-amine (PubChem CID 106457568) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]propan-2-amine
PubChem CID106457568
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]propan-2-amine
SMILESCC(C)COCCn1ccc2cccc(CC(C)N)c21
InChIInChI=1S/C17H26N2O/c1-13(2)12-20-10-9-19-8-7-15-5-4-6-16(17(15)19)11-14(3)18/h4-8,13-14H,9-12,18H2,1-3H3
InChIKeyIBGLHUHLEMCSEV-UHFFFAOYSA-N
XLogP3.20
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]propan-2-amine?
The IUPAC name of 1-[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]propan-2-amine (CID 106457568) is 1-[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]propan-2-amine?
The canonical SMILES for 1-[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]propan-2-amine is CC(C)COCCn1ccc2cccc(CC(C)N)c21.
What is the InChIKey of 1-[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]propan-2-amine?
The InChIKey is IBGLHUHLEMCSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)12-20-10-9-19-8-7-15-5-4-6-16(17(15)19)11-14(3)18/h4-8,13-14H,9-12,18H2,1-3H3.
What are the key properties of 1-[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]propan-2-amine?
1-[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]propan-2-amine has a molecular weight of 274.41 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]propan-2-amine is sourced from PubChem (CID 106457568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).