2-(2-amino-4-chlorophenyl)acetaldehyde

C8H8ClNO — CID 87129897

IUPAC2-(2-amino-4-chlorophenyl)acetaldehyde
SMILESNc1cc(Cl)ccc1CC=O
InChIInChI=1S/C8H8ClNO/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,4-5H,3,10H2
InChIKeyCYMIHSJIOVYCRD-UHFFFAOYSA-N
MW169.61 g/mol
LogP1.66
Rot. Bonds2

About 2-(2-amino-4-chlorophenyl)acetaldehyde

2-(2-amino-4-chlorophenyl)acetaldehyde (PubChem CID 87129897) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is 2-(2-amino-4-chlorophenyl)acetaldehyde.

Molecular Properties

Compound Name2-(2-amino-4-chlorophenyl)acetaldehyde
PubChem CID87129897
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name2-(2-amino-4-chlorophenyl)acetaldehyde
SMILESNc1cc(Cl)ccc1CC=O
InChIInChI=1S/C8H8ClNO/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,4-5H,3,10H2
InChIKeyCYMIHSJIOVYCRD-UHFFFAOYSA-N
XLogP1.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-chlorophenyl)acetaldehyde?
The IUPAC name of 2-(2-amino-4-chlorophenyl)acetaldehyde (CID 87129897) is 2-(2-amino-4-chlorophenyl)acetaldehyde.
What is the SMILES notation for 2-(2-amino-4-chlorophenyl)acetaldehyde?
The canonical SMILES for 2-(2-amino-4-chlorophenyl)acetaldehyde is Nc1cc(Cl)ccc1CC=O.
What is the InChIKey of 2-(2-amino-4-chlorophenyl)acetaldehyde?
The InChIKey is CYMIHSJIOVYCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,4-5H,3,10H2.
What are the key properties of 2-(2-amino-4-chlorophenyl)acetaldehyde?
2-(2-amino-4-chlorophenyl)acetaldehyde has a molecular weight of 169.61 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-chlorophenyl)acetaldehyde is sourced from PubChem (CID 87129897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).