1-[[2-(1H-indol-3-yl)ethylamino]methyl]naphthalen-2-ol

C21H20N2O — CID 83454240

IUPAC1-[[2-(1H-indol-3-yl)ethylamino]methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1CNCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H20N2O/c24-21-10-9-15-5-1-2-6-17(15)19(21)14-22-12-11-16-13-23-20-8-4-3-7-18(16)20/h1-10,13,22-24H,11-12,14H2
InChIKeyWTJIBJOFWMMTGZ-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.36
Rot. Bonds5

About 1-[[2-(1H-indol-3-yl)ethylamino]methyl]naphthalen-2-ol

1-[[2-(1H-indol-3-yl)ethylamino]methyl]naphthalen-2-ol (PubChem CID 83454240) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[[2-(1H-indol-3-yl)ethylamino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[2-(1H-indol-3-yl)ethylamino]methyl]naphthalen-2-ol
PubChem CID83454240
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name1-[[2-(1H-indol-3-yl)ethylamino]methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1CNCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H20N2O/c24-21-10-9-15-5-1-2-6-17(15)19(21)14-22-12-11-16-13-23-20-8-4-3-7-18(16)20/h1-10,13,22-24H,11-12,14H2
InChIKeyWTJIBJOFWMMTGZ-UHFFFAOYSA-N
XLogP4.36
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1H-indol-3-yl)ethylamino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[2-(1H-indol-3-yl)ethylamino]methyl]naphthalen-2-ol (CID 83454240) is 1-[[2-(1H-indol-3-yl)ethylamino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[2-(1H-indol-3-yl)ethylamino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[2-(1H-indol-3-yl)ethylamino]methyl]naphthalen-2-ol is Oc1ccc2ccccc2c1CNCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-[[2-(1H-indol-3-yl)ethylamino]methyl]naphthalen-2-ol?
The InChIKey is WTJIBJOFWMMTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c24-21-10-9-15-5-1-2-6-17(15)19(21)14-22-12-11-16-13-23-20-8-4-3-7-18(16)20/h1-10,13,22-24H,11-12,14H2.
What are the key properties of 1-[[2-(1H-indol-3-yl)ethylamino]methyl]naphthalen-2-ol?
1-[[2-(1H-indol-3-yl)ethylamino]methyl]naphthalen-2-ol has a molecular weight of 316.40 g/mol, XLogP of 4.36, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1H-indol-3-yl)ethylamino]methyl]naphthalen-2-ol is sourced from PubChem (CID 83454240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).