3,5-dichloro-2-(ethylamino)benzaldehyde

C9H9Cl2NO — CID 118878756

IUPAC3,5-dichloro-2-(ethylamino)benzaldehyde
SMILESCCNc1c(Cl)cc(Cl)cc1C=O
InChIInChI=1S/C9H9Cl2NO/c1-2-12-9-6(5-13)3-7(10)4-8(9)11/h3-5,12H,2H2,1H3
InChIKeyBUSQVLWRVHHWFE-UHFFFAOYSA-N
MW218.08 g/mol
LogP3.24
Rot. Bonds3

About 3,5-dichloro-2-(ethylamino)benzaldehyde

3,5-dichloro-2-(ethylamino)benzaldehyde (PubChem CID 118878756) has the molecular formula C9H9Cl2NO and a molecular weight of 218.08 g/mol. Its IUPAC name is 3,5-dichloro-2-(ethylamino)benzaldehyde.

Molecular Properties

Compound Name3,5-dichloro-2-(ethylamino)benzaldehyde
PubChem CID118878756
Molecular FormulaC9H9Cl2NO
Molecular Weight218.08 g/mol
Exact Mass217.01
IUPAC Name3,5-dichloro-2-(ethylamino)benzaldehyde
SMILESCCNc1c(Cl)cc(Cl)cc1C=O
InChIInChI=1S/C9H9Cl2NO/c1-2-12-9-6(5-13)3-7(10)4-8(9)11/h3-5,12H,2H2,1H3
InChIKeyBUSQVLWRVHHWFE-UHFFFAOYSA-N
XLogP3.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.08
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-(ethylamino)benzaldehyde?
The IUPAC name of 3,5-dichloro-2-(ethylamino)benzaldehyde (CID 118878756) is 3,5-dichloro-2-(ethylamino)benzaldehyde.
What is the SMILES notation for 3,5-dichloro-2-(ethylamino)benzaldehyde?
The canonical SMILES for 3,5-dichloro-2-(ethylamino)benzaldehyde is CCNc1c(Cl)cc(Cl)cc1C=O.
What is the InChIKey of 3,5-dichloro-2-(ethylamino)benzaldehyde?
The InChIKey is BUSQVLWRVHHWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO/c1-2-12-9-6(5-13)3-7(10)4-8(9)11/h3-5,12H,2H2,1H3.
What are the key properties of 3,5-dichloro-2-(ethylamino)benzaldehyde?
3,5-dichloro-2-(ethylamino)benzaldehyde has a molecular weight of 218.08 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-(ethylamino)benzaldehyde is sourced from PubChem (CID 118878756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).