2-(2-aminooxyethyl)-4-methoxybenzaldehyde

C10H13NO3 — CID 117285082

IUPAC2-(2-aminooxyethyl)-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(CCON)c1
InChIInChI=1S/C10H13NO3/c1-13-10-3-2-9(7-12)8(6-10)4-5-14-11/h2-3,6-7H,4-5,11H2,1H3
InChIKeyWDICQOJUZCZYTF-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.94
Rot. Bonds5

About 2-(2-aminooxyethyl)-4-methoxybenzaldehyde

2-(2-aminooxyethyl)-4-methoxybenzaldehyde (PubChem CID 117285082) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(2-aminooxyethyl)-4-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(2-aminooxyethyl)-4-methoxybenzaldehyde
PubChem CID117285082
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-(2-aminooxyethyl)-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(CCON)c1
InChIInChI=1S/C10H13NO3/c1-13-10-3-2-9(7-12)8(6-10)4-5-14-11/h2-3,6-7H,4-5,11H2,1H3
InChIKeyWDICQOJUZCZYTF-UHFFFAOYSA-N
XLogP0.94
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(fluoromethyl)-4-methoxybenzaldehyde
CID 141044211
2-(aminooxymethyl)-5-methoxybenzaldehyde
CID 117278594
2-[(1-aminocyclopropyl)methyl]-4-methoxybenzaldehyde
CID 117293526
2-(2-aminooxyethyl)-5-hydroxybenzaldehyde
CID 117278592
2-(benzenesulfonylmethyl)-4-methoxybenzaldehyde
CID 10935159
2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde
CID 11850864
2-butyl-5-methoxybenzaldehyde
CID 10631601
2-[(dimethylamino)methyl]-4-methoxybenzaldehyde;(3Z)-penta-1,3-diene
CID 143510544
acetic acid;(2-formyl-5-methoxyphenyl)methyl hydrogen sulfate
CID 88528450
4-butoxy-2-ethylbenzaldehyde
CID 89039391
3-(2-formyl-5-methoxyphenoxy)propanamide
CID 61268492
(2-formyl-5-methoxyphenyl)-trimethylazanium
CID 57461915

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminooxyethyl)-4-methoxybenzaldehyde?
The IUPAC name of 2-(2-aminooxyethyl)-4-methoxybenzaldehyde (CID 117285082) is 2-(2-aminooxyethyl)-4-methoxybenzaldehyde.
What is the SMILES notation for 2-(2-aminooxyethyl)-4-methoxybenzaldehyde?
The canonical SMILES for 2-(2-aminooxyethyl)-4-methoxybenzaldehyde is COc1ccc(C=O)c(CCON)c1.
What is the InChIKey of 2-(2-aminooxyethyl)-4-methoxybenzaldehyde?
The InChIKey is WDICQOJUZCZYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-13-10-3-2-9(7-12)8(6-10)4-5-14-11/h2-3,6-7H,4-5,11H2,1H3.
What are the key properties of 2-(2-aminooxyethyl)-4-methoxybenzaldehyde?
2-(2-aminooxyethyl)-4-methoxybenzaldehyde has a molecular weight of 195.22 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminooxyethyl)-4-methoxybenzaldehyde is sourced from PubChem (CID 117285082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).