2,3-dichloro-N-ethoxyprop-2-en-1-amine

C5H9Cl2NO — CID 79164345

IUPAC2,3-dichloro-N-ethoxyprop-2-en-1-amine
SMILESCCONCC(Cl)=CCl
InChIInChI=1S/C5H9Cl2NO/c1-2-9-8-4-5(7)3-6/h3,8H,2,4H2,1H3
InChIKeyVCNPLMBZBXPIBT-UHFFFAOYSA-N
MW170.04 g/mol
LogP1.85
Rot. Bonds4

About 2,3-dichloro-N-ethoxyprop-2-en-1-amine

2,3-dichloro-N-ethoxyprop-2-en-1-amine (PubChem CID 79164345) has the molecular formula C5H9Cl2NO and a molecular weight of 170.04 g/mol. Its IUPAC name is 2,3-dichloro-N-ethoxyprop-2-en-1-amine.

Molecular Properties

Compound Name2,3-dichloro-N-ethoxyprop-2-en-1-amine
PubChem CID79164345
Molecular FormulaC5H9Cl2NO
Molecular Weight170.04 g/mol
Exact Mass169.01
IUPAC Name2,3-dichloro-N-ethoxyprop-2-en-1-amine
SMILESCCONCC(Cl)=CCl
InChIInChI=1S/C5H9Cl2NO/c1-2-9-8-4-5(7)3-6/h3,8H,2,4H2,1H3
InChIKeyVCNPLMBZBXPIBT-UHFFFAOYSA-N
XLogP1.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.04
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-ethoxyprop-2-en-1-amine?
The IUPAC name of 2,3-dichloro-N-ethoxyprop-2-en-1-amine (CID 79164345) is 2,3-dichloro-N-ethoxyprop-2-en-1-amine.
What is the SMILES notation for 2,3-dichloro-N-ethoxyprop-2-en-1-amine?
The canonical SMILES for 2,3-dichloro-N-ethoxyprop-2-en-1-amine is CCONCC(Cl)=CCl.
What is the InChIKey of 2,3-dichloro-N-ethoxyprop-2-en-1-amine?
The InChIKey is VCNPLMBZBXPIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Cl2NO/c1-2-9-8-4-5(7)3-6/h3,8H,2,4H2,1H3.
What are the key properties of 2,3-dichloro-N-ethoxyprop-2-en-1-amine?
2,3-dichloro-N-ethoxyprop-2-en-1-amine has a molecular weight of 170.04 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-ethoxyprop-2-en-1-amine is sourced from PubChem (CID 79164345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).