1-indol-1-ylpropan-2-amine

C11H14N2 — CID 20806570

IUPAC1-indol-1-ylpropan-2-amine
SMILESCC(N)Cn1ccc2ccccc21
InChIInChI=1S/C11H14N2/c1-9(12)8-13-7-6-10-4-2-3-5-11(10)13/h2-7,9H,8,12H2,1H3
InChIKeyOZPPCCIRSILHOZ-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.99
Rot. Bonds2

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

1-indol-1-ylpropan-2-amine (PubChem CID 20806570) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 1-indol-1-ylpropan-2-amine.

Molecular Properties

Compound Name1-indol-1-ylpropan-2-amine
PubChem CID20806570
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name1-indol-1-ylpropan-2-amine
SMILESCC(N)Cn1ccc2ccccc21
InChIInChI=1S/C11H14N2/c1-9(12)8-13-7-6-10-4-2-3-5-11(10)13/h2-7,9H,8,12H2,1H3
InChIKeyOZPPCCIRSILHOZ-UHFFFAOYSA-N
XLogP1.99
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-indol-1-ylpropan-2-amine?
The IUPAC name of 1-indol-1-ylpropan-2-amine (CID 20806570) is 1-indol-1-ylpropan-2-amine.
What is the SMILES notation for 1-indol-1-ylpropan-2-amine?
The canonical SMILES for 1-indol-1-ylpropan-2-amine is CC(N)Cn1ccc2ccccc21.
What is the InChIKey of 1-indol-1-ylpropan-2-amine?
The InChIKey is OZPPCCIRSILHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-9(12)8-13-7-6-10-4-2-3-5-11(10)13/h2-7,9H,8,12H2,1H3.
What are the key properties of 1-indol-1-ylpropan-2-amine?
1-indol-1-ylpropan-2-amine has a molecular weight of 174.25 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-indol-1-ylpropan-2-amine is sourced from PubChem (CID 20806570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).