2-(2-aminophenyl)acetaldehyde;hydrochloride

C8H10ClNO — CID 87322292

IUPAC2-(2-aminophenyl)acetaldehyde;hydrochloride
SMILESCl.Nc1ccccc1CC=O
InChIInChI=1S/C8H9NO.ClH/c9-8-4-2-1-3-7(8)5-6-10;/h1-4,6H,5,9H2;1H
InChIKeyUVYBSLCSCRHHFU-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.43
Rot. Bonds2

About 2-(2-aminophenyl)acetaldehyde;hydrochloride

2-(2-aminophenyl)acetaldehyde;hydrochloride (PubChem CID 87322292) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 2-(2-aminophenyl)acetaldehyde;hydrochloride.

Molecular Properties

Compound Name2-(2-aminophenyl)acetaldehyde;hydrochloride
PubChem CID87322292
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name2-(2-aminophenyl)acetaldehyde;hydrochloride
SMILESCl.Nc1ccccc1CC=O
InChIInChI=1S/C8H9NO.ClH/c9-8-4-2-1-3-7(8)5-6-10;/h1-4,6H,5,9H2;1H
InChIKeyUVYBSLCSCRHHFU-UHFFFAOYSA-N
XLogP1.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.43
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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Related Compounds

2-(3-amino-2-methylphenyl)acetaldehyde
CID 174431818
2-[2-(aminomethyl)phenyl]acetaldehyde
CID 20545258
2-prop-2-enylaniline
CID 3036592
palladium(2+);2-prop-2-enylaniline;dichloride
CID 3036591
2-(aminomethyl)aniline;hydrochloride
CID 69170371
ethane;2-ethylaniline
CID 90841248
2-ethylaniline;propane
CID 143529464
2-(2-prop-2-enylphenyl)acetaldehyde
CID 134852101
2-(2-amino-4-chlorophenyl)acetaldehyde
CID 87129897
(E)-5-(2-aminophenyl)pent-3-en-2-one
CID 23503586
2-prop-2-enylaniline;yttrium
CID 58219768
2-naphthalen-1-ylacetaldehyde
CID 12570786

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)acetaldehyde;hydrochloride?
The IUPAC name of 2-(2-aminophenyl)acetaldehyde;hydrochloride (CID 87322292) is 2-(2-aminophenyl)acetaldehyde;hydrochloride.
What is the SMILES notation for 2-(2-aminophenyl)acetaldehyde;hydrochloride?
The canonical SMILES for 2-(2-aminophenyl)acetaldehyde;hydrochloride is Cl.Nc1ccccc1CC=O.
What is the InChIKey of 2-(2-aminophenyl)acetaldehyde;hydrochloride?
The InChIKey is UVYBSLCSCRHHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.ClH/c9-8-4-2-1-3-7(8)5-6-10;/h1-4,6H,5,9H2;1H.
What are the key properties of 2-(2-aminophenyl)acetaldehyde;hydrochloride?
2-(2-aminophenyl)acetaldehyde;hydrochloride has a molecular weight of 171.63 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)acetaldehyde;hydrochloride is sourced from PubChem (CID 87322292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).