3-amino-3-(2,3-dichlorophenyl)propanal

C9H9Cl2NO — CID 123893980

IUPAC3-amino-3-(2,3-dichlorophenyl)propanal
SMILESNC(CC=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C9H9Cl2NO/c10-7-3-1-2-6(9(7)11)8(12)4-5-13/h1-3,5,8H,4,12H2
InChIKeyLUVAWGNHYVPDJT-UHFFFAOYSA-N
MW218.08 g/mol
LogP2.58
Rot. Bonds3

About 3-amino-3-(2,3-dichlorophenyl)propanal

3-amino-3-(2,3-dichlorophenyl)propanal (PubChem CID 123893980) has the molecular formula C9H9Cl2NO and a molecular weight of 218.08 g/mol. Its IUPAC name is 3-amino-3-(2,3-dichlorophenyl)propanal.

Molecular Properties

Compound Name3-amino-3-(2,3-dichlorophenyl)propanal
PubChem CID123893980
Molecular FormulaC9H9Cl2NO
Molecular Weight218.08 g/mol
Exact Mass217.01
IUPAC Name3-amino-3-(2,3-dichlorophenyl)propanal
SMILESNC(CC=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C9H9Cl2NO/c10-7-3-1-2-6(9(7)11)8(12)4-5-13/h1-3,5,8H,4,12H2
InChIKeyLUVAWGNHYVPDJT-UHFFFAOYSA-N
XLogP2.58
TPSA43.09 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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-3-(2,3-dichlorophenyl)propanal 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

(1R)-1-(2,3-dichlorophenyl)but-3-en-1-amine;hydrochloride
CID 171204537
(1R)-1-(2,3-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171204529
(1R)-2-cyclopropyl-1-(2,3-dichlorophenyl)ethanamine
CID 130971374
(3S)-3-amino-3-(2,3-dichlorophenyl)propanamide
CID 29060246
1-(2,3-dichlorophenyl)but-3-yn-1-amine
CID 87596872
(2,3-dichlorophenyl)methanediamine
CID 139660481
(1S)-1-(2,3-dichlorophenyl)-3,3,3-trifluoropropan-1-amine
CID 103693902
1-(2,3-dichlorophenyl)-4-methylsulfonylbutan-1-amine
CID 115820999
1-(2,3-dichlorophenyl)-3-ethylpentan-1-amine
CID 105028441
(1R)-1-(2,3-dichlorophenyl)pentan-1-amine
CID 171204538
(1S)-1-(2,3-dichlorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171224120
N-[2-amino-2-(2,3-dichlorophenyl)ethyl]ethanesulfinamide
CID 130349740

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2,3-dichlorophenyl)propanal?
The IUPAC name of 3-amino-3-(2,3-dichlorophenyl)propanal (CID 123893980) is 3-amino-3-(2,3-dichlorophenyl)propanal.
What is the SMILES notation for 3-amino-3-(2,3-dichlorophenyl)propanal?
The canonical SMILES for 3-amino-3-(2,3-dichlorophenyl)propanal is NC(CC=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 3-amino-3-(2,3-dichlorophenyl)propanal?
The InChIKey is LUVAWGNHYVPDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO/c10-7-3-1-2-6(9(7)11)8(12)4-5-13/h1-3,5,8H,4,12H2.
What are the key properties of 3-amino-3-(2,3-dichlorophenyl)propanal?
3-amino-3-(2,3-dichlorophenyl)propanal has a molecular weight of 218.08 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2,3-dichlorophenyl)propanal is sourced from PubChem (CID 123893980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).