2,3-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine

C11H11Cl4N — CID 79167527

IUPAC2,3-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine
SMILESClC=C(Cl)CNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl4N/c12-6-10(14)7-16-4-3-8-1-2-9(13)5-11(8)15/h1-2,5-6,16H,3-4,7H2
InChIKeyYFGOSVPMRMJKKV-UHFFFAOYSA-N
MW299.03 g/mol
LogP4.44
Rot. Bonds5

About 2,3-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine

2,3-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine (PubChem CID 79167527) has the molecular formula C11H11Cl4N and a molecular weight of 299.03 g/mol. Its IUPAC name is 2,3-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2,3-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine
PubChem CID79167527
Molecular FormulaC11H11Cl4N
Molecular Weight299.03 g/mol
Exact Mass296.96
IUPAC Name2,3-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine
SMILESClC=C(Cl)CNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl4N/c12-6-10(14)7-16-4-3-8-1-2-9(13)5-11(8)15/h1-2,5-6,16H,3-4,7H2
InChIKeyYFGOSVPMRMJKKV-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.03
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine?
The IUPAC name of 2,3-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine (CID 79167527) is 2,3-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for 2,3-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine?
The canonical SMILES for 2,3-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine is ClC=C(Cl)CNCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,3-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine?
The InChIKey is YFGOSVPMRMJKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl4N/c12-6-10(14)7-16-4-3-8-1-2-9(13)5-11(8)15/h1-2,5-6,16H,3-4,7H2.
What are the key properties of 2,3-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine?
2,3-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine has a molecular weight of 299.03 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 79167527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).