4-methoxy-3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzaldehyde

C15H23NO3 — CID 81057200

IUPAC4-methoxy-3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzaldehyde
SMILESCOc1ccc(C=O)cc1CN(C)CCOC(C)C
InChIInChI=1S/C15H23NO3/c1-12(2)19-8-7-16(3)10-14-9-13(11-17)5-6-15(14)18-4/h5-6,9,11-12H,7-8,10H2,1-4H3
InChIKeyLJXCAWPYUFFVBO-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.36
Rot. Bonds8

About 4-methoxy-3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzaldehyde

4-methoxy-3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzaldehyde (PubChem CID 81057200) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-methoxy-3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzaldehyde.

Molecular Properties

Compound Name4-methoxy-3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzaldehyde
PubChem CID81057200
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-methoxy-3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzaldehyde
SMILESCOc1ccc(C=O)cc1CN(C)CCOC(C)C
InChIInChI=1S/C15H23NO3/c1-12(2)19-8-7-16(3)10-14-9-13(11-17)5-6-15(14)18-4/h5-6,9,11-12H,7-8,10H2,1-4H3
InChIKeyLJXCAWPYUFFVBO-UHFFFAOYSA-N
XLogP2.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.36
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

3-[(dimethylamino)methyl]-4-methoxybenzaldehyde
CID 3159838
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81058780
4-methoxy-3-(3-methylbutan-2-ylsulfanylmethyl)benzaldehyde
CID 103706200
2-methoxy-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol
CID 79310118
2-methoxy-6-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol
CID 82983294
3-[[[4-(4-fluorophenoxy)phenyl]methyl-methylamino]methyl]-4-methoxybenzaldehyde
CID 88939638
4-methoxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzaldehyde
CID 106448329
4-fluoro-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline
CID 81059061
4-methoxy-3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzaldehyde
CID 63273928
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-4-methoxybenzaldehyde
CID 102722538
4-methoxy-3-[[methyl(thiolan-3-yl)amino]methyl]benzaldehyde
CID 62052358
1-(3,4-dimethoxyphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol
CID 81036228

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzaldehyde?
The IUPAC name of 4-methoxy-3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzaldehyde (CID 81057200) is 4-methoxy-3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzaldehyde.
What is the SMILES notation for 4-methoxy-3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzaldehyde?
The canonical SMILES for 4-methoxy-3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzaldehyde is COc1ccc(C=O)cc1CN(C)CCOC(C)C.
What is the InChIKey of 4-methoxy-3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzaldehyde?
The InChIKey is LJXCAWPYUFFVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12(2)19-8-7-16(3)10-14-9-13(11-17)5-6-15(14)18-4/h5-6,9,11-12H,7-8,10H2,1-4H3.
What are the key properties of 4-methoxy-3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzaldehyde?
4-methoxy-3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzaldehyde has a molecular weight of 265.35 g/mol, XLogP of 2.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzaldehyde is sourced from PubChem (CID 81057200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).