2-(3-butyl-6-methoxyindol-1-yl)ethanamine

C15H22N2O — CID 83948678

IUPAC2-(3-butyl-6-methoxyindol-1-yl)ethanamine
SMILESCCCCc1cn(CCN)c2cc(OC)ccc12
InChIInChI=1S/C15H22N2O/c1-3-4-5-12-11-17(9-8-16)15-10-13(18-2)6-7-14(12)15/h6-7,10-11H,3-5,8-9,16H2,1-2H3
InChIKeyPRZDHKGKKGGTSJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.95
Rot. Bonds6

About 2-(3-butyl-6-methoxyindol-1-yl)ethanamine

2-(3-butyl-6-methoxyindol-1-yl)ethanamine (PubChem CID 83948678) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(3-butyl-6-methoxyindol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-butyl-6-methoxyindol-1-yl)ethanamine
PubChem CID83948678
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(3-butyl-6-methoxyindol-1-yl)ethanamine
SMILESCCCCc1cn(CCN)c2cc(OC)ccc12
InChIInChI=1S/C15H22N2O/c1-3-4-5-12-11-17(9-8-16)15-10-13(18-2)6-7-14(12)15/h6-7,10-11H,3-5,8-9,16H2,1-2H3
InChIKeyPRZDHKGKKGGTSJ-UHFFFAOYSA-N
XLogP2.95
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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 2-(3-butyl-6-methoxyindol-1-yl)ethanamine?
The IUPAC name of 2-(3-butyl-6-methoxyindol-1-yl)ethanamine (CID 83948678) is 2-(3-butyl-6-methoxyindol-1-yl)ethanamine.
What is the SMILES notation for 2-(3-butyl-6-methoxyindol-1-yl)ethanamine?
The canonical SMILES for 2-(3-butyl-6-methoxyindol-1-yl)ethanamine is CCCCc1cn(CCN)c2cc(OC)ccc12.
What is the InChIKey of 2-(3-butyl-6-methoxyindol-1-yl)ethanamine?
The InChIKey is PRZDHKGKKGGTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-4-5-12-11-17(9-8-16)15-10-13(18-2)6-7-14(12)15/h6-7,10-11H,3-5,8-9,16H2,1-2H3.
What are the key properties of 2-(3-butyl-6-methoxyindol-1-yl)ethanamine?
2-(3-butyl-6-methoxyindol-1-yl)ethanamine has a molecular weight of 246.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-6-methoxyindol-1-yl)ethanamine is sourced from PubChem (CID 83948678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).