2-(4-amino-2,6-dimethoxyphenyl)acetaldehyde

C10H13NO3 — CID 19736742

IUPAC2-(4-amino-2,6-dimethoxyphenyl)acetaldehyde
SMILESCOc1cc(N)cc(OC)c1CC=O
InChIInChI=1S/C10H13NO3/c1-13-9-5-7(11)6-10(14-2)8(9)3-4-12/h4-6H,3,11H2,1-2H3
InChIKeyHUWHZBYKFSILKQ-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.03
Rot. Bonds4

About 2-(4-amino-2,6-dimethoxyphenyl)acetaldehyde

2-(4-amino-2,6-dimethoxyphenyl)acetaldehyde (PubChem CID 19736742) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(4-amino-2,6-dimethoxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(4-amino-2,6-dimethoxyphenyl)acetaldehyde
PubChem CID19736742
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-(4-amino-2,6-dimethoxyphenyl)acetaldehyde
SMILESCOc1cc(N)cc(OC)c1CC=O
InChIInChI=1S/C10H13NO3/c1-13-9-5-7(11)6-10(14-2)8(9)3-4-12/h4-6H,3,11H2,1-2H3
InChIKeyHUWHZBYKFSILKQ-UHFFFAOYSA-N
XLogP1.03
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxyphenyl]acetaldehyde
CID 11461073
5-amino-2-hydroxy-3-methoxybenzaldehyde
CID 155701195
4,5-dimethoxy-2-(2-oxoethyl)benzaldehyde
CID 134869051
3,5-dimethoxy-4-methylsulfonylaniline
CID 84794352
2-[4-(aminomethyl)-2-methoxyphenyl]acetaldehyde
CID 174050388
2-[2-bromo-3-methoxy-5-methyl-6-(methylamino)phenyl]acetaldehyde
CID 166649761
[(E)-2-methyl-4-(2,4,6-trimethoxyphenyl)but-2-enyl] acetate
CID 67666062
2-(4-ethyl-3-methoxyphenyl)acetaldehyde
CID 87726186
2-(3-fluoro-4-methoxyphenyl)acetaldehyde
CID 62796139
1,3-dimethoxy-5-methyl-2-prop-2-enylbenzene
CID 86017681
2-(3-bromo-4,5-dimethoxyphenyl)acetaldehyde
CID 59259548
2-bromo-6-methoxybenzene-1,4-diamine
CID 10889334

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,6-dimethoxyphenyl)acetaldehyde?
The IUPAC name of 2-(4-amino-2,6-dimethoxyphenyl)acetaldehyde (CID 19736742) is 2-(4-amino-2,6-dimethoxyphenyl)acetaldehyde.
What is the SMILES notation for 2-(4-amino-2,6-dimethoxyphenyl)acetaldehyde?
The canonical SMILES for 2-(4-amino-2,6-dimethoxyphenyl)acetaldehyde is COc1cc(N)cc(OC)c1CC=O.
What is the InChIKey of 2-(4-amino-2,6-dimethoxyphenyl)acetaldehyde?
The InChIKey is HUWHZBYKFSILKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-13-9-5-7(11)6-10(14-2)8(9)3-4-12/h4-6H,3,11H2,1-2H3.
What are the key properties of 2-(4-amino-2,6-dimethoxyphenyl)acetaldehyde?
2-(4-amino-2,6-dimethoxyphenyl)acetaldehyde has a molecular weight of 195.22 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,6-dimethoxyphenyl)acetaldehyde is sourced from PubChem (CID 19736742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).