1-[2-(1H-indol-3-yl)ethylamino]propan-2-one

C13H16N2O — CID 91330877

IUPAC1-[2-(1H-indol-3-yl)ethylamino]propan-2-one
SMILESCC(=O)CNCCc1c[nH]c2ccccc12
InChIInChI=1S/C13H16N2O/c1-10(16)8-14-7-6-11-9-15-13-5-3-2-4-12(11)13/h2-5,9,14-15H,6-8H2,1H3
InChIKeyPMHRQKHZMNJTSJ-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.89
Rot. Bonds5

About 1-[2-(1H-indol-3-yl)ethylamino]propan-2-one

1-[2-(1H-indol-3-yl)ethylamino]propan-2-one (PubChem CID 91330877) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)ethylamino]propan-2-one.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)ethylamino]propan-2-one
PubChem CID91330877
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-[2-(1H-indol-3-yl)ethylamino]propan-2-one
SMILESCC(=O)CNCCc1c[nH]c2ccccc12
InChIInChI=1S/C13H16N2O/c1-10(16)8-14-7-6-11-9-15-13-5-3-2-4-12(11)13/h2-5,9,14-15H,6-8H2,1H3
InChIKeyPMHRQKHZMNJTSJ-UHFFFAOYSA-N
XLogP1.89
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 108992856
N-tert-butyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109002301
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978
2-[2-(1H-indol-3-yl)ethylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 109002334
[2-(1H-indol-3-yl)ethylamino] acetate
CID 19864349
(E)-but-2-enedioic acid;bis(N-ethyl-2-(1H-indol-3-yl)ethanamine)
CID 172871952
1-(azepan-1-yl)-2-[2-(1H-indol-3-yl)ethylamino]ethanone
CID 109002313
N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid
CID 17367556
[2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol
CID 71385029
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912609
N-(3,5-dichlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109002406
N-cyclooctyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 50955220

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)ethylamino]propan-2-one?
The IUPAC name of 1-[2-(1H-indol-3-yl)ethylamino]propan-2-one (CID 91330877) is 1-[2-(1H-indol-3-yl)ethylamino]propan-2-one.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)ethylamino]propan-2-one?
The canonical SMILES for 1-[2-(1H-indol-3-yl)ethylamino]propan-2-one is CC(=O)CNCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-[2-(1H-indol-3-yl)ethylamino]propan-2-one?
The InChIKey is PMHRQKHZMNJTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10(16)8-14-7-6-11-9-15-13-5-3-2-4-12(11)13/h2-5,9,14-15H,6-8H2,1H3.
What are the key properties of 1-[2-(1H-indol-3-yl)ethylamino]propan-2-one?
1-[2-(1H-indol-3-yl)ethylamino]propan-2-one has a molecular weight of 216.28 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)ethylamino]propan-2-one is sourced from PubChem (CID 91330877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).