2-chloro-N-(2-chloroethyl)-N-tritylethanamine

C23H23Cl2N — CID 4195463

IUPAC2-chloro-N-(2-chloroethyl)-N-tritylethanamine
SMILESClCCN(CCCl)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23Cl2N/c24-16-18-26(19-17-25)23(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15H,16-19H2
InChIKeyCZSHLHINHXKKRU-UHFFFAOYSA-N
MW384.35 g/mol
LogP5.76
Rot. Bonds8

About 2-chloro-N-(2-chloroethyl)-N-tritylethanamine

2-chloro-N-(2-chloroethyl)-N-tritylethanamine (PubChem CID 4195463) has the molecular formula C23H23Cl2N and a molecular weight of 384.35 g/mol. Its IUPAC name is 2-chloro-N-(2-chloroethyl)-N-tritylethanamine.

Molecular Properties

Compound Name2-chloro-N-(2-chloroethyl)-N-tritylethanamine
PubChem CID4195463
Molecular FormulaC23H23Cl2N
Molecular Weight384.35 g/mol
Exact Mass383.12
IUPAC Name2-chloro-N-(2-chloroethyl)-N-tritylethanamine
SMILESClCCN(CCCl)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23Cl2N/c24-16-18-26(19-17-25)23(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15H,16-19H2
InChIKeyCZSHLHINHXKKRU-UHFFFAOYSA-N
XLogP5.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.35
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-chloro-N-(2-chloroethyl)-N-tritylethanamine 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-chloro-N-(2-chloroethyl)-N-tritylethanamine?
The IUPAC name of 2-chloro-N-(2-chloroethyl)-N-tritylethanamine (CID 4195463) is 2-chloro-N-(2-chloroethyl)-N-tritylethanamine.
What is the SMILES notation for 2-chloro-N-(2-chloroethyl)-N-tritylethanamine?
The canonical SMILES for 2-chloro-N-(2-chloroethyl)-N-tritylethanamine is ClCCN(CCCl)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-chloro-N-(2-chloroethyl)-N-tritylethanamine?
The InChIKey is CZSHLHINHXKKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N/c24-16-18-26(19-17-25)23(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15H,16-19H2.
What are the key properties of 2-chloro-N-(2-chloroethyl)-N-tritylethanamine?
2-chloro-N-(2-chloroethyl)-N-tritylethanamine has a molecular weight of 384.35 g/mol, XLogP of 5.76, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloroethyl)-N-tritylethanamine is sourced from PubChem (CID 4195463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).