2-acridin-4-yloxy-N,N-bis(2-chloroethyl)ethanamine

C19H20Cl2N2O — CID 11661284

IUPAC2-acridin-4-yloxy-N,N-bis(2-chloroethyl)ethanamine
SMILESClCCN(CCCl)CCOc1cccc2cc3ccccc3nc12
InChIInChI=1S/C19H20Cl2N2O/c20-8-10-23(11-9-21)12-13-24-18-7-3-5-16-14-15-4-1-2-6-17(15)22-19(16)18/h1-7,14H,8-13H2
InChIKeyBAPJBNWKORCPKF-UHFFFAOYSA-N
MW363.29 g/mol
LogP4.55
Rot. Bonds8

About 2-acridin-4-yloxy-N,N-bis(2-chloroethyl)ethanamine

2-acridin-4-yloxy-N,N-bis(2-chloroethyl)ethanamine (PubChem CID 11661284) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is 2-acridin-4-yloxy-N,N-bis(2-chloroethyl)ethanamine.

Molecular Properties

Compound Name2-acridin-4-yloxy-N,N-bis(2-chloroethyl)ethanamine
PubChem CID11661284
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC Name2-acridin-4-yloxy-N,N-bis(2-chloroethyl)ethanamine
SMILESClCCN(CCCl)CCOc1cccc2cc3ccccc3nc12
InChIInChI=1S/C19H20Cl2N2O/c20-8-10-23(11-9-21)12-13-24-18-7-3-5-16-14-15-4-1-2-6-17(15)22-19(16)18/h1-7,14H,8-13H2
InChIKeyBAPJBNWKORCPKF-UHFFFAOYSA-N
XLogP4.55
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-acridin-4-yloxy-N,N-bis(2-chloroethyl)ethanamine 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 2-acridin-4-yloxy-N,N-bis(2-chloroethyl)ethanamine?
The IUPAC name of 2-acridin-4-yloxy-N,N-bis(2-chloroethyl)ethanamine (CID 11661284) is 2-acridin-4-yloxy-N,N-bis(2-chloroethyl)ethanamine.
What is the SMILES notation for 2-acridin-4-yloxy-N,N-bis(2-chloroethyl)ethanamine?
The canonical SMILES for 2-acridin-4-yloxy-N,N-bis(2-chloroethyl)ethanamine is ClCCN(CCCl)CCOc1cccc2cc3ccccc3nc12.
What is the InChIKey of 2-acridin-4-yloxy-N,N-bis(2-chloroethyl)ethanamine?
The InChIKey is BAPJBNWKORCPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c20-8-10-23(11-9-21)12-13-24-18-7-3-5-16-14-15-4-1-2-6-17(15)22-19(16)18/h1-7,14H,8-13H2.
What are the key properties of 2-acridin-4-yloxy-N,N-bis(2-chloroethyl)ethanamine?
2-acridin-4-yloxy-N,N-bis(2-chloroethyl)ethanamine has a molecular weight of 363.29 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acridin-4-yloxy-N,N-bis(2-chloroethyl)ethanamine is sourced from PubChem (CID 11661284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).