2-chloro-N-(2-chloroethyl)-N-[(4-chlorophenyl)methyl]ethanamine

C11H14Cl3N — CID 19183

IUPAC2-chloro-N-(2-chloroethyl)-N-[(4-chlorophenyl)methyl]ethanamine
SMILESClCCN(CCCl)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H14Cl3N/c12-5-7-15(8-6-13)9-10-1-3-11(14)4-2-10/h1-4H,5-9H2
InChIKeyRAPBJFPMEMZYHV-UHFFFAOYSA-N
MW266.60 g/mol
LogP3.62
Rot. Bonds6

About 2-chloro-N-(2-chloroethyl)-N-[(4-chlorophenyl)methyl]ethanamine

2-chloro-N-(2-chloroethyl)-N-[(4-chlorophenyl)methyl]ethanamine (PubChem CID 19183) has the molecular formula C11H14Cl3N and a molecular weight of 266.60 g/mol. Its IUPAC name is 2-chloro-N-(2-chloroethyl)-N-[(4-chlorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-chloro-N-(2-chloroethyl)-N-[(4-chlorophenyl)methyl]ethanamine
PubChem CID19183
Molecular FormulaC11H14Cl3N
Molecular Weight266.60 g/mol
Exact Mass265.02
IUPAC Name2-chloro-N-(2-chloroethyl)-N-[(4-chlorophenyl)methyl]ethanamine
SMILESClCCN(CCCl)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H14Cl3N/c12-5-7-15(8-6-13)9-10-1-3-11(14)4-2-10/h1-4H,5-9H2
InChIKeyRAPBJFPMEMZYHV-UHFFFAOYSA-N
XLogP3.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.60
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloroethyl)-N-[(4-chlorophenyl)methyl]ethanamine?
The IUPAC name of 2-chloro-N-(2-chloroethyl)-N-[(4-chlorophenyl)methyl]ethanamine (CID 19183) is 2-chloro-N-(2-chloroethyl)-N-[(4-chlorophenyl)methyl]ethanamine.
What is the SMILES notation for 2-chloro-N-(2-chloroethyl)-N-[(4-chlorophenyl)methyl]ethanamine?
The canonical SMILES for 2-chloro-N-(2-chloroethyl)-N-[(4-chlorophenyl)methyl]ethanamine is ClCCN(CCCl)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-N-(2-chloroethyl)-N-[(4-chlorophenyl)methyl]ethanamine?
The InChIKey is RAPBJFPMEMZYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl3N/c12-5-7-15(8-6-13)9-10-1-3-11(14)4-2-10/h1-4H,5-9H2.
What are the key properties of 2-chloro-N-(2-chloroethyl)-N-[(4-chlorophenyl)methyl]ethanamine?
2-chloro-N-(2-chloroethyl)-N-[(4-chlorophenyl)methyl]ethanamine has a molecular weight of 266.60 g/mol, XLogP of 3.62, 6 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-[(4-chlorophenyl)methyl]ethanamine is sourced from PubChem (CID 19183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).