4-anthracen-9-yloxybutan-1-amine

C18H19NO — CID 14373236

IUPAC4-anthracen-9-yloxybutan-1-amine
SMILESNCCCCOc1c2ccccc2cc2ccccc12
InChIInChI=1S/C18H19NO/c19-11-5-6-12-20-18-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)18/h1-4,7-10,13H,5-6,11-12,19H2
InChIKeyAAIGTATUYZIFRC-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.11
Rot. Bonds5

About 4-anthracen-9-yloxybutan-1-amine

4-anthracen-9-yloxybutan-1-amine (PubChem CID 14373236) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-anthracen-9-yloxybutan-1-amine.

Molecular Properties

Compound Name4-anthracen-9-yloxybutan-1-amine
PubChem CID14373236
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name4-anthracen-9-yloxybutan-1-amine
SMILESNCCCCOc1c2ccccc2cc2ccccc12
InChIInChI=1S/C18H19NO/c19-11-5-6-12-20-18-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)18/h1-4,7-10,13H,5-6,11-12,19H2
InChIKeyAAIGTATUYZIFRC-UHFFFAOYSA-N
XLogP4.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 4-anthracen-9-yloxybutan-1-amine 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 4-anthracen-9-yloxybutan-1-amine?
The IUPAC name of 4-anthracen-9-yloxybutan-1-amine (CID 14373236) is 4-anthracen-9-yloxybutan-1-amine.
What is the SMILES notation for 4-anthracen-9-yloxybutan-1-amine?
The canonical SMILES for 4-anthracen-9-yloxybutan-1-amine is NCCCCOc1c2ccccc2cc2ccccc12.
What is the InChIKey of 4-anthracen-9-yloxybutan-1-amine?
The InChIKey is AAIGTATUYZIFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c19-11-5-6-12-20-18-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)18/h1-4,7-10,13H,5-6,11-12,19H2.
What are the key properties of 4-anthracen-9-yloxybutan-1-amine?
4-anthracen-9-yloxybutan-1-amine has a molecular weight of 265.36 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anthracen-9-yloxybutan-1-amine is sourced from PubChem (CID 14373236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).