2-indol-1-ylpropan-2-amine

C11H14N2 — CID 68539094

IUPAC2-indol-1-ylpropan-2-amine
SMILESCC(C)(N)n1ccc2ccccc21
InChIInChI=1S/C11H14N2/c1-11(2,12)13-8-7-9-5-3-4-6-10(9)13/h3-8H,12H2,1-2H3
InChIKeyBYGZPTMTUSHQDO-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.29
Rot. Bonds1

About 2-indol-1-ylpropan-2-amine

2-indol-1-ylpropan-2-amine (PubChem CID 68539094) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-indol-1-ylpropan-2-amine.

Molecular Properties

Compound Name2-indol-1-ylpropan-2-amine
PubChem CID68539094
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2-indol-1-ylpropan-2-amine
SMILESCC(C)(N)n1ccc2ccccc21
InChIInChI=1S/C11H14N2/c1-11(2,12)13-8-7-9-5-3-4-6-10(9)13/h3-8H,12H2,1-2H3
InChIKeyBYGZPTMTUSHQDO-UHFFFAOYSA-N
XLogP2.29
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-indol-1-ylpropan-2-amine?
The IUPAC name of 2-indol-1-ylpropan-2-amine (CID 68539094) is 2-indol-1-ylpropan-2-amine.
What is the SMILES notation for 2-indol-1-ylpropan-2-amine?
The canonical SMILES for 2-indol-1-ylpropan-2-amine is CC(C)(N)n1ccc2ccccc21.
What is the InChIKey of 2-indol-1-ylpropan-2-amine?
The InChIKey is BYGZPTMTUSHQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-11(2,12)13-8-7-9-5-3-4-6-10(9)13/h3-8H,12H2,1-2H3.
What are the key properties of 2-indol-1-ylpropan-2-amine?
2-indol-1-ylpropan-2-amine has a molecular weight of 174.25 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-ylpropan-2-amine is sourced from PubChem (CID 68539094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).