4-(diethylamino)-2-propan-2-yloxybenzaldehyde

C14H21NO2 — CID 86639492

IUPAC4-(diethylamino)-2-propan-2-yloxybenzaldehyde
SMILESCCN(CC)c1ccc(C=O)c(OC(C)C)c1
InChIInChI=1S/C14H21NO2/c1-5-15(6-2)13-8-7-12(10-16)14(9-13)17-11(3)4/h7-11H,5-6H2,1-4H3
InChIKeyGCXGCJLOAYHPRH-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.13
Rot. Bonds6

About 4-(diethylamino)-2-propan-2-yloxybenzaldehyde

4-(diethylamino)-2-propan-2-yloxybenzaldehyde (PubChem CID 86639492) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(diethylamino)-2-propan-2-yloxybenzaldehyde.

Molecular Properties

Compound Name4-(diethylamino)-2-propan-2-yloxybenzaldehyde
PubChem CID86639492
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-(diethylamino)-2-propan-2-yloxybenzaldehyde
SMILESCCN(CC)c1ccc(C=O)c(OC(C)C)c1
InChIInChI=1S/C14H21NO2/c1-5-15(6-2)13-8-7-12(10-16)14(9-13)17-11(3)4/h7-11H,5-6H2,1-4H3
InChIKeyGCXGCJLOAYHPRH-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.13
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-propan-2-yloxybenzaldehyde?
The IUPAC name of 4-(diethylamino)-2-propan-2-yloxybenzaldehyde (CID 86639492) is 4-(diethylamino)-2-propan-2-yloxybenzaldehyde.
What is the SMILES notation for 4-(diethylamino)-2-propan-2-yloxybenzaldehyde?
The canonical SMILES for 4-(diethylamino)-2-propan-2-yloxybenzaldehyde is CCN(CC)c1ccc(C=O)c(OC(C)C)c1.
What is the InChIKey of 4-(diethylamino)-2-propan-2-yloxybenzaldehyde?
The InChIKey is GCXGCJLOAYHPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-15(6-2)13-8-7-12(10-16)14(9-13)17-11(3)4/h7-11H,5-6H2,1-4H3.
What are the key properties of 4-(diethylamino)-2-propan-2-yloxybenzaldehyde?
4-(diethylamino)-2-propan-2-yloxybenzaldehyde has a molecular weight of 235.33 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-2-propan-2-yloxybenzaldehyde is sourced from PubChem (CID 86639492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).