2,6-dichloro-N-[2-(2-chloroethyl)phenyl]aniline

C14H12Cl3N — CID 10902675

IUPAC2,6-dichloro-N-[2-(2-chloroethyl)phenyl]aniline
SMILESClCCc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H12Cl3N/c15-9-8-10-4-1-2-7-13(10)18-14-11(16)5-3-6-12(14)17/h1-7,18H,8-9H2
InChIKeyZANNQKVJLXYTMT-UHFFFAOYSA-N
MW300.62 g/mol
LogP5.52
Rot. Bonds4

About 2,6-dichloro-N-[2-(2-chloroethyl)phenyl]aniline

2,6-dichloro-N-[2-(2-chloroethyl)phenyl]aniline (PubChem CID 10902675) has the molecular formula C14H12Cl3N and a molecular weight of 300.62 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-(2-chloroethyl)phenyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-N-[2-(2-chloroethyl)phenyl]aniline
PubChem CID10902675
Molecular FormulaC14H12Cl3N
Molecular Weight300.62 g/mol
Exact Mass299.00
IUPAC Name2,6-dichloro-N-[2-(2-chloroethyl)phenyl]aniline
SMILESClCCc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H12Cl3N/c15-9-8-10-4-1-2-7-13(10)18-14-11(16)5-3-6-12(14)17/h1-7,18H,8-9H2
InChIKeyZANNQKVJLXYTMT-UHFFFAOYSA-N
XLogP5.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.62
LogP ≤ 55.52
H-Bond Donors ≤ 51
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 2,6-dichloro-N-[2-(2-chloroethyl)phenyl]aniline?
The IUPAC name of 2,6-dichloro-N-[2-(2-chloroethyl)phenyl]aniline (CID 10902675) is 2,6-dichloro-N-[2-(2-chloroethyl)phenyl]aniline.
What is the SMILES notation for 2,6-dichloro-N-[2-(2-chloroethyl)phenyl]aniline?
The canonical SMILES for 2,6-dichloro-N-[2-(2-chloroethyl)phenyl]aniline is ClCCc1ccccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[2-(2-chloroethyl)phenyl]aniline?
The InChIKey is ZANNQKVJLXYTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3N/c15-9-8-10-4-1-2-7-13(10)18-14-11(16)5-3-6-12(14)17/h1-7,18H,8-9H2.
What are the key properties of 2,6-dichloro-N-[2-(2-chloroethyl)phenyl]aniline?
2,6-dichloro-N-[2-(2-chloroethyl)phenyl]aniline has a molecular weight of 300.62 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-(2-chloroethyl)phenyl]aniline is sourced from PubChem (CID 10902675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).