4-(diethylamino)-2-phenylmethoxybenzaldehyde

C18H21NO2 — CID 976942

IUPAC4-(diethylamino)-2-phenylmethoxybenzaldehyde
SMILESCCN(CC)c1ccc(C=O)c(OCc2ccccc2)c1
InChIInChI=1S/C18H21NO2/c1-3-19(4-2)17-11-10-16(13-20)18(12-17)21-14-15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3
InChIKeySHLWAEUNKOVQMZ-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.92
Rot. Bonds7

About 4-(diethylamino)-2-phenylmethoxybenzaldehyde

4-(diethylamino)-2-phenylmethoxybenzaldehyde (PubChem CID 976942) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-(diethylamino)-2-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name4-(diethylamino)-2-phenylmethoxybenzaldehyde
PubChem CID976942
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name4-(diethylamino)-2-phenylmethoxybenzaldehyde
SMILESCCN(CC)c1ccc(C=O)c(OCc2ccccc2)c1
InChIInChI=1S/C18H21NO2/c1-3-19(4-2)17-11-10-16(13-20)18(12-17)21-14-15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3
InChIKeySHLWAEUNKOVQMZ-UHFFFAOYSA-N
XLogP3.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.92
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-phenylmethoxybenzaldehyde?
The IUPAC name of 4-(diethylamino)-2-phenylmethoxybenzaldehyde (CID 976942) is 4-(diethylamino)-2-phenylmethoxybenzaldehyde.
What is the SMILES notation for 4-(diethylamino)-2-phenylmethoxybenzaldehyde?
The canonical SMILES for 4-(diethylamino)-2-phenylmethoxybenzaldehyde is CCN(CC)c1ccc(C=O)c(OCc2ccccc2)c1.
What is the InChIKey of 4-(diethylamino)-2-phenylmethoxybenzaldehyde?
The InChIKey is SHLWAEUNKOVQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-19(4-2)17-11-10-16(13-20)18(12-17)21-14-15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3.
What are the key properties of 4-(diethylamino)-2-phenylmethoxybenzaldehyde?
4-(diethylamino)-2-phenylmethoxybenzaldehyde has a molecular weight of 283.37 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-2-phenylmethoxybenzaldehyde is sourced from PubChem (CID 976942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).