2-amino-2-(5-chloro-2-hydroxyphenyl)acetaldehyde

C8H8ClNO2 — CID 91013936

IUPAC2-amino-2-(5-chloro-2-hydroxyphenyl)acetaldehyde
SMILESNC(C=O)c1cc(Cl)ccc1O
InChIInChI=1S/C8H8ClNO2/c9-5-1-2-8(12)6(3-5)7(10)4-11/h1-4,7,12H,10H2
InChIKeyNWFSGPIIJMEBNM-UHFFFAOYSA-N
MW185.61 g/mol
LogP1.24
Rot. Bonds2

About 2-amino-2-(5-chloro-2-hydroxyphenyl)acetaldehyde

2-amino-2-(5-chloro-2-hydroxyphenyl)acetaldehyde (PubChem CID 91013936) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is 2-amino-2-(5-chloro-2-hydroxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2-amino-2-(5-chloro-2-hydroxyphenyl)acetaldehyde
PubChem CID91013936
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC Name2-amino-2-(5-chloro-2-hydroxyphenyl)acetaldehyde
SMILESNC(C=O)c1cc(Cl)ccc1O
InChIInChI=1S/C8H8ClNO2/c9-5-1-2-8(12)6(3-5)7(10)4-11/h1-4,7,12H,10H2
InChIKeyNWFSGPIIJMEBNM-UHFFFAOYSA-N
XLogP1.24
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(5-chloro-2-methoxyphenyl)acetaldehyde;hydrochloride
CID 87888710
2-(1-aminoethyl)-4-chlorophenol;hydrochloride
CID 146014077
4-chloro-2-[(1R)-1,2-diaminoethyl]phenol
CID 66516717
2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chlorophenol
CID 131224816
2-amino-2-(5-chloro-2-propan-2-yloxyphenyl)acetaldehyde;hydrochloride
CID 87888258
methyl (2R)-2-amino-2-(5-chloro-2-hydroxyphenyl)acetate;hydrochloride
CID 171217153
2-[(1S)-1-aminopent-4-enyl]-4-chlorophenol
CID 171217147
2-amino-2-(6-chloro-1H-indol-3-yl)acetaldehyde
CID 88561394
2-[(1S)-1-amino-4-hydroxybutyl]-4-chlorophenol
CID 171217158
3-(5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171867764
2-[(S)-amino(cyclobutyl)methyl]-4-chlorophenol;hydrochloride
CID 171217140
2-(1-aminopentyl)-4-chlorophenol
CID 155888158

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-chloro-2-hydroxyphenyl)acetaldehyde?
The IUPAC name of 2-amino-2-(5-chloro-2-hydroxyphenyl)acetaldehyde (CID 91013936) is 2-amino-2-(5-chloro-2-hydroxyphenyl)acetaldehyde.
What is the SMILES notation for 2-amino-2-(5-chloro-2-hydroxyphenyl)acetaldehyde?
The canonical SMILES for 2-amino-2-(5-chloro-2-hydroxyphenyl)acetaldehyde is NC(C=O)c1cc(Cl)ccc1O.
What is the InChIKey of 2-amino-2-(5-chloro-2-hydroxyphenyl)acetaldehyde?
The InChIKey is NWFSGPIIJMEBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2/c9-5-1-2-8(12)6(3-5)7(10)4-11/h1-4,7,12H,10H2.
What are the key properties of 2-amino-2-(5-chloro-2-hydroxyphenyl)acetaldehyde?
2-amino-2-(5-chloro-2-hydroxyphenyl)acetaldehyde has a molecular weight of 185.61 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-chloro-2-hydroxyphenyl)acetaldehyde is sourced from PubChem (CID 91013936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).