2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-3-yl]ethanamine

C16H24N2O — CID 112591716

IUPAC2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-3-yl]ethanamine
SMILESCC(C)(C)OCCn1cc(CCN)c2ccccc21
InChIInChI=1S/C16H24N2O/c1-16(2,3)19-11-10-18-12-13(8-9-17)14-6-4-5-7-15(14)18/h4-7,12H,8-11,17H2,1-3H3
InChIKeyUNFUICWZUJFGHA-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.96
Rot. Bonds5

About 2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-3-yl]ethanamine

2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-3-yl]ethanamine (PubChem CID 112591716) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-3-yl]ethanamine
PubChem CID112591716
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-3-yl]ethanamine
SMILESCC(C)(C)OCCn1cc(CCN)c2ccccc21
InChIInChI=1S/C16H24N2O/c1-16(2,3)19-11-10-18-12-13(8-9-17)14-6-4-5-7-15(14)18/h4-7,12H,8-11,17H2,1-3H3
InChIKeyUNFUICWZUJFGHA-UHFFFAOYSA-N
XLogP2.96
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-3-yl]ethanamine?
The IUPAC name of 2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-3-yl]ethanamine (CID 112591716) is 2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-3-yl]ethanamine?
The canonical SMILES for 2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-3-yl]ethanamine is CC(C)(C)OCCn1cc(CCN)c2ccccc21.
What is the InChIKey of 2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-3-yl]ethanamine?
The InChIKey is UNFUICWZUJFGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2,3)19-11-10-18-12-13(8-9-17)14-6-4-5-7-15(14)18/h4-7,12H,8-11,17H2,1-3H3.
What are the key properties of 2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-3-yl]ethanamine?
2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-3-yl]ethanamine has a molecular weight of 260.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-3-yl]ethanamine is sourced from PubChem (CID 112591716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).