2-(3,4-dichlorophenyl)-2-(dimethylamino)acetaldehyde

C10H11Cl2NO — CID 116908705

IUPAC2-(3,4-dichlorophenyl)-2-(dimethylamino)acetaldehyde
SMILESCN(C)C(C=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO/c1-13(2)10(6-14)7-3-4-8(11)9(12)5-7/h3-6,10H,1-2H3
InChIKeyFGOPJYSQABXKIX-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.80
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-2-(dimethylamino)acetaldehyde

2-(3,4-dichlorophenyl)-2-(dimethylamino)acetaldehyde (PubChem CID 116908705) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-2-(dimethylamino)acetaldehyde.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-2-(dimethylamino)acetaldehyde
PubChem CID116908705
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name2-(3,4-dichlorophenyl)-2-(dimethylamino)acetaldehyde
SMILESCN(C)C(C=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO/c1-13(2)10(6-14)7-3-4-8(11)9(12)5-7/h3-6,10H,1-2H3
InChIKeyFGOPJYSQABXKIX-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3,4-dichlorophenyl)-2-(dimethylamino)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dimethylamino)-2-naphthalen-2-ylacetaldehyde
CID 116908733
1-(3,4-dichlorophenyl)-N,N-dimethylethanamine
CID 116914680
3-(3,4-dichlorophenyl)-2-methylbutanal
CID 123198585
2-(dimethylamino)-2-(4-phenylphenyl)acetaldehyde
CID 116908630
1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-one;hydrochloride
CID 71239032
CID 87727172
CID 87727172
(2R)-2-(3,4-dichlorophenyl)-3-oxopropanenitrile
CID 94256868
1-(3,4-dichlorophenyl)-N,N-dimethylethane-1,2-diamine
CID 16789744
4-(3,4-dichlorophenyl)-4-(dimethylamino)butan-2-one
CID 116910574
3-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-ol
CID 83931252
2-(4-chloro-3-methylphenyl)propanal
CID 57241327
2-cyclopentyl-2-(3,4-dichlorophenyl)acetaldehyde
CID 87324074

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-2-(dimethylamino)acetaldehyde?
The IUPAC name of 2-(3,4-dichlorophenyl)-2-(dimethylamino)acetaldehyde (CID 116908705) is 2-(3,4-dichlorophenyl)-2-(dimethylamino)acetaldehyde.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-2-(dimethylamino)acetaldehyde?
The canonical SMILES for 2-(3,4-dichlorophenyl)-2-(dimethylamino)acetaldehyde is CN(C)C(C=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-2-(dimethylamino)acetaldehyde?
The InChIKey is FGOPJYSQABXKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c1-13(2)10(6-14)7-3-4-8(11)9(12)5-7/h3-6,10H,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-2-(dimethylamino)acetaldehyde?
2-(3,4-dichlorophenyl)-2-(dimethylamino)acetaldehyde has a molecular weight of 232.11 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-2-(dimethylamino)acetaldehyde is sourced from PubChem (CID 116908705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).