5-[1-(diethylamino)ethyl]-2-methoxybenzaldehyde

C14H21NO2 — CID 105496652

IUPAC5-[1-(diethylamino)ethyl]-2-methoxybenzaldehyde
SMILESCCN(CC)C(C)c1ccc(OC)c(C=O)c1
InChIInChI=1S/C14H21NO2/c1-5-15(6-2)11(3)12-7-8-14(17-4)13(9-12)10-16/h7-11H,5-6H2,1-4H3
InChIKeyZICBWUFSMLCACA-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.91
Rot. Bonds6

About 5-[1-(diethylamino)ethyl]-2-methoxybenzaldehyde

5-[1-(diethylamino)ethyl]-2-methoxybenzaldehyde (PubChem CID 105496652) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-[1-(diethylamino)ethyl]-2-methoxybenzaldehyde.

Molecular Properties

Compound Name5-[1-(diethylamino)ethyl]-2-methoxybenzaldehyde
PubChem CID105496652
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name5-[1-(diethylamino)ethyl]-2-methoxybenzaldehyde
SMILESCCN(CC)C(C)c1ccc(OC)c(C=O)c1
InChIInChI=1S/C14H21NO2/c1-5-15(6-2)11(3)12-7-8-14(17-4)13(9-12)10-16/h7-11H,5-6H2,1-4H3
InChIKeyZICBWUFSMLCACA-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(diethylamino)ethyl]-2-hydroxybenzaldehyde
CID 105477801
5-(1-aminoethyl)-2-methoxybenzaldehyde
CID 105438045
1-[3-(aminomethyl)-4-methoxyphenyl]-N,N-diethylethanamine
CID 105498192
5-[1-(1,3-dioxolan-2-yl)ethyl]-2-methoxybenzaldehyde
CID 10466628
5-benzhydryl-2-methoxybenzaldehyde
CID 134942077
5-[bis(3-formyl-4-methoxyphenyl)-hydroxymethyl]-2-methoxybenzaldehyde
CID 71479368
2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde
CID 56838314
S-[3-(3-formyl-4-methoxyphenyl)-2,3-dihydroxypropyl] ethanethioate
CID 170822217
4-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]-2-methoxyphenol
CID 102999085
4-[1-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-methoxyphenol
CID 82981884
2-methoxy-5-[tri(propan-2-yl)silyloxymethyl]benzaldehyde
CID 12024000
2-(4-ethoxy-3-methoxyphenyl)propanal
CID 134639564

Frequently Asked Questions

What is the IUPAC name of 5-[1-(diethylamino)ethyl]-2-methoxybenzaldehyde?
The IUPAC name of 5-[1-(diethylamino)ethyl]-2-methoxybenzaldehyde (CID 105496652) is 5-[1-(diethylamino)ethyl]-2-methoxybenzaldehyde.
What is the SMILES notation for 5-[1-(diethylamino)ethyl]-2-methoxybenzaldehyde?
The canonical SMILES for 5-[1-(diethylamino)ethyl]-2-methoxybenzaldehyde is CCN(CC)C(C)c1ccc(OC)c(C=O)c1.
What is the InChIKey of 5-[1-(diethylamino)ethyl]-2-methoxybenzaldehyde?
The InChIKey is ZICBWUFSMLCACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-15(6-2)11(3)12-7-8-14(17-4)13(9-12)10-16/h7-11H,5-6H2,1-4H3.
What are the key properties of 5-[1-(diethylamino)ethyl]-2-methoxybenzaldehyde?
5-[1-(diethylamino)ethyl]-2-methoxybenzaldehyde has a molecular weight of 235.33 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(diethylamino)ethyl]-2-methoxybenzaldehyde is sourced from PubChem (CID 105496652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).