4-(diethylamino)-2-methoxybenzaldehyde

C12H17NO2 — CID 780883

IUPAC4-(diethylamino)-2-methoxybenzaldehyde
SMILESCCN(CC)c1ccc(C=O)c(OC)c1
InChIInChI=1S/C12H17NO2/c1-4-13(5-2)11-7-6-10(9-14)12(8-11)15-3/h6-9H,4-5H2,1-3H3
InChIKeyFJBDMJZBYSCLLJ-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.35
Rot. Bonds5

About 4-(diethylamino)-2-methoxybenzaldehyde

4-(diethylamino)-2-methoxybenzaldehyde (PubChem CID 780883) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-(diethylamino)-2-methoxybenzaldehyde.

Molecular Properties

Compound Name4-(diethylamino)-2-methoxybenzaldehyde
PubChem CID780883
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-(diethylamino)-2-methoxybenzaldehyde
SMILESCCN(CC)c1ccc(C=O)c(OC)c1
InChIInChI=1S/C12H17NO2/c1-4-13(5-2)11-7-6-10(9-14)12(8-11)15-3/h6-9H,4-5H2,1-3H3
InChIKeyFJBDMJZBYSCLLJ-UHFFFAOYSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-2-methoxybenzaldehyde?
The IUPAC name of 4-(diethylamino)-2-methoxybenzaldehyde (CID 780883) is 4-(diethylamino)-2-methoxybenzaldehyde.
What is the SMILES notation for 4-(diethylamino)-2-methoxybenzaldehyde?
The canonical SMILES for 4-(diethylamino)-2-methoxybenzaldehyde is CCN(CC)c1ccc(C=O)c(OC)c1.
What is the InChIKey of 4-(diethylamino)-2-methoxybenzaldehyde?
The InChIKey is FJBDMJZBYSCLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-13(5-2)11-7-6-10(9-14)12(8-11)15-3/h6-9H,4-5H2,1-3H3.
What are the key properties of 4-(diethylamino)-2-methoxybenzaldehyde?
4-(diethylamino)-2-methoxybenzaldehyde has a molecular weight of 207.27 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-2-methoxybenzaldehyde is sourced from PubChem (CID 780883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).