1-[4-(aminomethyl)-2,6-diethylanilino]anthracene-9,10-dione

C25H24N2O2 — CID 151870924

IUPAC1-[4-(aminomethyl)-2,6-diethylanilino]anthracene-9,10-dione
SMILESCCc1cc(CN)cc(CC)c1Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C25H24N2O2/c1-3-16-12-15(14-26)13-17(4-2)23(16)27-21-11-7-10-20-22(21)25(29)19-9-6-5-8-18(19)24(20)28/h5-13,27H,3-4,14,26H2,1-2H3
InChIKeySMQYNLBYULRSFI-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.79
Rot. Bonds5

About 1-[4-(aminomethyl)-2,6-diethylanilino]anthracene-9,10-dione

1-[4-(aminomethyl)-2,6-diethylanilino]anthracene-9,10-dione (PubChem CID 151870924) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-2,6-diethylanilino]anthracene-9,10-dione.

Molecular Properties

Compound Name1-[4-(aminomethyl)-2,6-diethylanilino]anthracene-9,10-dione
PubChem CID151870924
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name1-[4-(aminomethyl)-2,6-diethylanilino]anthracene-9,10-dione
SMILESCCc1cc(CN)cc(CC)c1Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C25H24N2O2/c1-3-16-12-15(14-26)13-17(4-2)23(16)27-21-11-7-10-20-22(21)25(29)19-9-6-5-8-18(19)24(20)28/h5-13,27H,3-4,14,26H2,1-2H3
InChIKeySMQYNLBYULRSFI-UHFFFAOYSA-N
XLogP4.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

Analyze 1-[4-(aminomethyl)-2,6-diethylanilino]anthracene-9,10-dione 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 1-[4-(aminomethyl)-2,6-diethylanilino]anthracene-9,10-dione?
The IUPAC name of 1-[4-(aminomethyl)-2,6-diethylanilino]anthracene-9,10-dione (CID 151870924) is 1-[4-(aminomethyl)-2,6-diethylanilino]anthracene-9,10-dione.
What is the SMILES notation for 1-[4-(aminomethyl)-2,6-diethylanilino]anthracene-9,10-dione?
The canonical SMILES for 1-[4-(aminomethyl)-2,6-diethylanilino]anthracene-9,10-dione is CCc1cc(CN)cc(CC)c1Nc1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-[4-(aminomethyl)-2,6-diethylanilino]anthracene-9,10-dione?
The InChIKey is SMQYNLBYULRSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-3-16-12-15(14-26)13-17(4-2)23(16)27-21-11-7-10-20-22(21)25(29)19-9-6-5-8-18(19)24(20)28/h5-13,27H,3-4,14,26H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)-2,6-diethylanilino]anthracene-9,10-dione?
1-[4-(aminomethyl)-2,6-diethylanilino]anthracene-9,10-dione has a molecular weight of 384.48 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-2,6-diethylanilino]anthracene-9,10-dione is sourced from PubChem (CID 151870924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).