2-amino-2-(5-chloro-2-methoxyphenyl)acetaldehyde;hydrochloride

C9H11Cl2NO2 — CID 87888710

IUPAC2-amino-2-(5-chloro-2-methoxyphenyl)acetaldehyde;hydrochloride
SMILESCOc1ccc(Cl)cc1C(N)C=O.Cl
InChIInChI=1S/C9H10ClNO2.ClH/c1-13-9-3-2-6(10)4-7(9)8(11)5-12;/h2-5,8H,11H2,1H3;1H
InChIKeyOOWGTWVJTGHTMR-UHFFFAOYSA-N
MW236.10 g/mol
LogP1.97
Rot. Bonds3

About 2-amino-2-(5-chloro-2-methoxyphenyl)acetaldehyde;hydrochloride

2-amino-2-(5-chloro-2-methoxyphenyl)acetaldehyde;hydrochloride (PubChem CID 87888710) has the molecular formula C9H11Cl2NO2 and a molecular weight of 236.10 g/mol. Its IUPAC name is 2-amino-2-(5-chloro-2-methoxyphenyl)acetaldehyde;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(5-chloro-2-methoxyphenyl)acetaldehyde;hydrochloride
PubChem CID87888710
Molecular FormulaC9H11Cl2NO2
Molecular Weight236.10 g/mol
Exact Mass235.02
IUPAC Name2-amino-2-(5-chloro-2-methoxyphenyl)acetaldehyde;hydrochloride
SMILESCOc1ccc(Cl)cc1C(N)C=O.Cl
InChIInChI=1S/C9H10ClNO2.ClH/c1-13-9-3-2-6(10)4-7(9)8(11)5-12;/h2-5,8H,11H2,1H3;1H
InChIKeyOOWGTWVJTGHTMR-UHFFFAOYSA-N
XLogP1.97
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.10
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-(5-chloro-2-propan-2-yloxyphenyl)acetaldehyde;hydrochloride
CID 87888258
(1R)-1-(5-chloro-2-methoxyphenyl)prop-2-en-1-amine
CID 131139061
(E)-4-amino-4-(5-chloro-2-methoxyphenyl)but-2-enoic acid
CID 116940825
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
2-amino-2-(2-methoxy-5-propan-2-ylphenyl)acetaldehyde
CID 116939012
2-(5-chloro-2-methoxyphenyl)-2-methoxyacetaldehyde
CID 83835537
2-amino-2-(5-chloro-2-hydroxyphenyl)acetaldehyde
CID 91013936
(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
CID 171215023
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171244636
(2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride
CID 171215057
methyl (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)acetate
CID 171215055
(1R)-1-(5-chloro-2-methoxyphenyl)but-3-en-1-amine;hydrochloride
CID 171215027

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-chloro-2-methoxyphenyl)acetaldehyde;hydrochloride?
The IUPAC name of 2-amino-2-(5-chloro-2-methoxyphenyl)acetaldehyde;hydrochloride (CID 87888710) is 2-amino-2-(5-chloro-2-methoxyphenyl)acetaldehyde;hydrochloride.
What is the SMILES notation for 2-amino-2-(5-chloro-2-methoxyphenyl)acetaldehyde;hydrochloride?
The canonical SMILES for 2-amino-2-(5-chloro-2-methoxyphenyl)acetaldehyde;hydrochloride is COc1ccc(Cl)cc1C(N)C=O.Cl.
What is the InChIKey of 2-amino-2-(5-chloro-2-methoxyphenyl)acetaldehyde;hydrochloride?
The InChIKey is OOWGTWVJTGHTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2.ClH/c1-13-9-3-2-6(10)4-7(9)8(11)5-12;/h2-5,8H,11H2,1H3;1H.
What are the key properties of 2-amino-2-(5-chloro-2-methoxyphenyl)acetaldehyde;hydrochloride?
2-amino-2-(5-chloro-2-methoxyphenyl)acetaldehyde;hydrochloride has a molecular weight of 236.10 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-chloro-2-methoxyphenyl)acetaldehyde;hydrochloride is sourced from PubChem (CID 87888710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).