3-amino-4-methoxybenzaldehyde

C8H9NO2 — CID 14984642

IUPAC3-amino-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1N
InChIInChI=1S/C8H9NO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,9H2,1H3
InChIKeyIXWVKDLWPHIKHS-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.09
Rot. Bonds2

About 3-amino-4-methoxybenzaldehyde

3-amino-4-methoxybenzaldehyde (PubChem CID 14984642) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 3-amino-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3-amino-4-methoxybenzaldehyde
PubChem CID14984642
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name3-amino-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1N
InChIInChI=1S/C8H9NO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,9H2,1H3
InChIKeyIXWVKDLWPHIKHS-UHFFFAOYSA-N
XLogP1.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxybenzaldehyde?
The IUPAC name of 3-amino-4-methoxybenzaldehyde (CID 14984642) is 3-amino-4-methoxybenzaldehyde.
What is the SMILES notation for 3-amino-4-methoxybenzaldehyde?
The canonical SMILES for 3-amino-4-methoxybenzaldehyde is COc1ccc(C=O)cc1N.
What is the InChIKey of 3-amino-4-methoxybenzaldehyde?
The InChIKey is IXWVKDLWPHIKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,9H2,1H3.
What are the key properties of 3-amino-4-methoxybenzaldehyde?
3-amino-4-methoxybenzaldehyde has a molecular weight of 151.16 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxybenzaldehyde is sourced from PubChem (CID 14984642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).