4-[3-(diethylamino)-2-methylpropoxy]-3-ethoxybenzaldehyde

C17H27NO3 — CID 82037892

IUPAC4-[3-(diethylamino)-2-methylpropoxy]-3-ethoxybenzaldehyde
SMILESCCOc1cc(C=O)ccc1OCC(C)CN(CC)CC
InChIInChI=1S/C17H27NO3/c1-5-18(6-2)11-14(4)13-21-16-9-8-15(12-19)10-17(16)20-7-3/h8-10,12,14H,5-7,11,13H2,1-4H3
InChIKeyALQAPOLSYRNCOK-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.25
Rot. Bonds10

About 4-[3-(diethylamino)-2-methylpropoxy]-3-ethoxybenzaldehyde

4-[3-(diethylamino)-2-methylpropoxy]-3-ethoxybenzaldehyde (PubChem CID 82037892) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-[3-(diethylamino)-2-methylpropoxy]-3-ethoxybenzaldehyde.

Molecular Properties

Compound Name4-[3-(diethylamino)-2-methylpropoxy]-3-ethoxybenzaldehyde
PubChem CID82037892
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name4-[3-(diethylamino)-2-methylpropoxy]-3-ethoxybenzaldehyde
SMILESCCOc1cc(C=O)ccc1OCC(C)CN(CC)CC
InChIInChI=1S/C17H27NO3/c1-5-18(6-2)11-14(4)13-21-16-9-8-15(12-19)10-17(16)20-7-3/h8-10,12,14H,5-7,11,13H2,1-4H3
InChIKeyALQAPOLSYRNCOK-UHFFFAOYSA-N
XLogP3.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-3-(1-hydroxyethoxy)benzaldehyde
CID 21404165
3-ethoxy-4-[6-(2-ethoxy-4-formylphenoxy)hex-3-enoxy]benzaldehyde
CID 168878587
3-ethoxy-4-(1-oxopropan-2-yl)benzaldehyde
CID 134640111
3-[(2R)-butan-2-yl]-4-ethoxybenzaldehyde
CID 86324040
4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde
CID 174408807
3-ethoxy-4-(2-methylprop-2-enoxy)benzaldehyde
CID 22343686
3,4-bis(methoxymethoxy)benzaldehyde
CID 11746314
4-ethoxy-3-ethylbenzaldehyde
CID 53410104
3-ethoxy-4-(3-methylsulfanylpropoxy)benzaldehyde
CID 115650903
3-(2-ethoxy-4-formylphenoxy)propanoic acid
CID 28701161
2-(2-ethoxy-4-formylphenoxy)-N-prop-2-ynylpropanamide
CID 43112291
3-ethoxy-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 166173195

Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)-2-methylpropoxy]-3-ethoxybenzaldehyde?
The IUPAC name of 4-[3-(diethylamino)-2-methylpropoxy]-3-ethoxybenzaldehyde (CID 82037892) is 4-[3-(diethylamino)-2-methylpropoxy]-3-ethoxybenzaldehyde.
What is the SMILES notation for 4-[3-(diethylamino)-2-methylpropoxy]-3-ethoxybenzaldehyde?
The canonical SMILES for 4-[3-(diethylamino)-2-methylpropoxy]-3-ethoxybenzaldehyde is CCOc1cc(C=O)ccc1OCC(C)CN(CC)CC.
What is the InChIKey of 4-[3-(diethylamino)-2-methylpropoxy]-3-ethoxybenzaldehyde?
The InChIKey is ALQAPOLSYRNCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-18(6-2)11-14(4)13-21-16-9-8-15(12-19)10-17(16)20-7-3/h8-10,12,14H,5-7,11,13H2,1-4H3.
What are the key properties of 4-[3-(diethylamino)-2-methylpropoxy]-3-ethoxybenzaldehyde?
4-[3-(diethylamino)-2-methylpropoxy]-3-ethoxybenzaldehyde has a molecular weight of 293.41 g/mol, XLogP of 3.25, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)-2-methylpropoxy]-3-ethoxybenzaldehyde is sourced from PubChem (CID 82037892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).