1-(5-methoxy-1-propylindol-3-yl)propan-2-amine

C15H22N2O — CID 14739627

IUPAC1-(5-methoxy-1-propylindol-3-yl)propan-2-amine
SMILESCCCn1cc(CC(C)N)c2cc(OC)ccc21
InChIInChI=1S/C15H22N2O/c1-4-7-17-10-12(8-11(2)16)14-9-13(18-3)5-6-15(14)17/h5-6,9-11H,4,7-8,16H2,1-3H3
InChIKeyDAGLCFOMYRIMJJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.95
Rot. Bonds5

About 1-(5-methoxy-1-propylindol-3-yl)propan-2-amine

1-(5-methoxy-1-propylindol-3-yl)propan-2-amine (PubChem CID 14739627) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(5-methoxy-1-propylindol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-methoxy-1-propylindol-3-yl)propan-2-amine
PubChem CID14739627
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(5-methoxy-1-propylindol-3-yl)propan-2-amine
SMILESCCCn1cc(CC(C)N)c2cc(OC)ccc21
InChIInChI=1S/C15H22N2O/c1-4-7-17-10-12(8-11(2)16)14-9-13(18-3)5-6-15(14)17/h5-6,9-11H,4,7-8,16H2,1-3H3
InChIKeyDAGLCFOMYRIMJJ-UHFFFAOYSA-N
XLogP2.95
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1-propylindol-3-yl)propan-2-amine?
The IUPAC name of 1-(5-methoxy-1-propylindol-3-yl)propan-2-amine (CID 14739627) is 1-(5-methoxy-1-propylindol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(5-methoxy-1-propylindol-3-yl)propan-2-amine?
The canonical SMILES for 1-(5-methoxy-1-propylindol-3-yl)propan-2-amine is CCCn1cc(CC(C)N)c2cc(OC)ccc21.
What is the InChIKey of 1-(5-methoxy-1-propylindol-3-yl)propan-2-amine?
The InChIKey is DAGLCFOMYRIMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-7-17-10-12(8-11(2)16)14-9-13(18-3)5-6-15(14)17/h5-6,9-11H,4,7-8,16H2,1-3H3.
What are the key properties of 1-(5-methoxy-1-propylindol-3-yl)propan-2-amine?
1-(5-methoxy-1-propylindol-3-yl)propan-2-amine has a molecular weight of 246.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1-propylindol-3-yl)propan-2-amine is sourced from PubChem (CID 14739627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).