2-(2,4-dichlorophenyl)-2-(methylamino)acetaldehyde

C9H9Cl2NO — CID 116954245

IUPAC2-(2,4-dichlorophenyl)-2-(methylamino)acetaldehyde
SMILESCNC(C=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2NO/c1-12-9(5-13)7-3-2-6(10)4-8(7)11/h2-5,9,12H,1H3
InChIKeyZRVDCNKGWBSMDM-UHFFFAOYSA-N
MW218.08 g/mol
LogP2.45
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-2-(methylamino)acetaldehyde

2-(2,4-dichlorophenyl)-2-(methylamino)acetaldehyde (PubChem CID 116954245) has the molecular formula C9H9Cl2NO and a molecular weight of 218.08 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-2-(methylamino)acetaldehyde.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-2-(methylamino)acetaldehyde
PubChem CID116954245
Molecular FormulaC9H9Cl2NO
Molecular Weight218.08 g/mol
Exact Mass217.01
IUPAC Name2-(2,4-dichlorophenyl)-2-(methylamino)acetaldehyde
SMILESCNC(C=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2NO/c1-12-9(5-13)7-3-2-6(10)4-8(7)11/h2-5,9,12H,1H3
InChIKeyZRVDCNKGWBSMDM-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dichlorophenyl)-1-methoxy-N-methylmethanamine
CID 116961551
1-(2,4-dichlorophenyl)-2,2,2-trifluoro-N-methylethanamine
CID 61271013
2-(2,4-dichlorophenyl)-2-(methylamino)acetonitrile
CID 43115042
1-(2,4-dichlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 63502416
3-(2,4-dichlorophenyl)-3-(methylamino)propanenitrile
CID 116955201
1-(2,4-dichlorophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 61270437
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562
3-(2,4-dichlorophenyl)-3-hydroxypropanal
CID 114795177
N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine
CID 16740749
1-(4-chloro-2-methoxyphenyl)-N-methylprop-2-en-1-amine
CID 105000664
1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830438
4-(2,4-dichlorophenyl)-4-(methylamino)butanenitrile
CID 116955362

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-2-(methylamino)acetaldehyde?
The IUPAC name of 2-(2,4-dichlorophenyl)-2-(methylamino)acetaldehyde (CID 116954245) is 2-(2,4-dichlorophenyl)-2-(methylamino)acetaldehyde.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-2-(methylamino)acetaldehyde?
The canonical SMILES for 2-(2,4-dichlorophenyl)-2-(methylamino)acetaldehyde is CNC(C=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-2-(methylamino)acetaldehyde?
The InChIKey is ZRVDCNKGWBSMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO/c1-12-9(5-13)7-3-2-6(10)4-8(7)11/h2-5,9,12H,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-2-(methylamino)acetaldehyde?
2-(2,4-dichlorophenyl)-2-(methylamino)acetaldehyde has a molecular weight of 218.08 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-2-(methylamino)acetaldehyde is sourced from PubChem (CID 116954245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).