9-[2-(dimethylamino)ethylamino]phenalen-1-one

C17H18N2O — CID 140936622

IUPAC9-[2-(dimethylamino)ethylamino]phenalen-1-one
SMILESCN(C)CCNc1ccc2cccc3c2c1C(=O)C=C3
InChIInChI=1S/C17H18N2O/c1-19(2)11-10-18-14-8-6-12-4-3-5-13-7-9-15(20)17(14)16(12)13/h3-9,18H,10-11H2,1-2H3
InChIKeyORPSFAGNVFPTPF-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.02
Rot. Bonds4

About 9-[2-(dimethylamino)ethylamino]phenalen-1-one

9-[2-(dimethylamino)ethylamino]phenalen-1-one (PubChem CID 140936622) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 9-[2-(dimethylamino)ethylamino]phenalen-1-one.

Molecular Properties

Compound Name9-[2-(dimethylamino)ethylamino]phenalen-1-one
PubChem CID140936622
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name9-[2-(dimethylamino)ethylamino]phenalen-1-one
SMILESCN(C)CCNc1ccc2cccc3c2c1C(=O)C=C3
InChIInChI=1S/C17H18N2O/c1-19(2)11-10-18-14-8-6-12-4-3-5-13-7-9-15(20)17(14)16(12)13/h3-9,18H,10-11H2,1-2H3
InChIKeyORPSFAGNVFPTPF-UHFFFAOYSA-N
XLogP3.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-[2-(dimethylamino)ethylamino]phenalen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[2-(dimethylamino)ethylamino]phenalen-1-one?
The IUPAC name of 9-[2-(dimethylamino)ethylamino]phenalen-1-one (CID 140936622) is 9-[2-(dimethylamino)ethylamino]phenalen-1-one.
What is the SMILES notation for 9-[2-(dimethylamino)ethylamino]phenalen-1-one?
The canonical SMILES for 9-[2-(dimethylamino)ethylamino]phenalen-1-one is CN(C)CCNc1ccc2cccc3c2c1C(=O)C=C3.
What is the InChIKey of 9-[2-(dimethylamino)ethylamino]phenalen-1-one?
The InChIKey is ORPSFAGNVFPTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-19(2)11-10-18-14-8-6-12-4-3-5-13-7-9-15(20)17(14)16(12)13/h3-9,18H,10-11H2,1-2H3.
What are the key properties of 9-[2-(dimethylamino)ethylamino]phenalen-1-one?
9-[2-(dimethylamino)ethylamino]phenalen-1-one has a molecular weight of 266.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(dimethylamino)ethylamino]phenalen-1-one is sourced from PubChem (CID 140936622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).