2-[(dimethylamino)methyl]-4-methoxybenzaldehyde;(3Z)-penta-1,3-diene

C16H23NO2 — CID 143510544

IUPAC2-[(dimethylamino)methyl]-4-methoxybenzaldehyde;(3Z)-penta-1,3-diene
SMILESC=C/C=C\C.COc1ccc(C=O)c(CN(C)C)c1
InChIInChI=1S/C11H15NO2.C5H8/c1-12(2)7-10-6-11(14-3)5-4-9(10)8-13;1-3-5-4-2/h4-6,8H,7H2,1-3H3;3-5H,1H2,2H3/b;5-4-
InChIKeyQYBSEJMYEIAUTJ-GUHKXDMSSA-N
MW261.37 g/mol
LogP3.32
Rot. Bonds5

About 2-[(dimethylamino)methyl]-4-methoxybenzaldehyde;(3Z)-penta-1,3-diene

2-[(dimethylamino)methyl]-4-methoxybenzaldehyde;(3Z)-penta-1,3-diene (PubChem CID 143510544) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4-methoxybenzaldehyde;(3Z)-penta-1,3-diene.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4-methoxybenzaldehyde;(3Z)-penta-1,3-diene
PubChem CID143510544
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-[(dimethylamino)methyl]-4-methoxybenzaldehyde;(3Z)-penta-1,3-diene
SMILESC=C/C=C\C.COc1ccc(C=O)c(CN(C)C)c1
InChIInChI=1S/C11H15NO2.C5H8/c1-12(2)7-10-6-11(14-3)5-4-9(10)8-13;1-3-5-4-2/h4-6,8H,7H2,1-3H3;3-5H,1H2,2H3/b;5-4-
InChIKeyQYBSEJMYEIAUTJ-GUHKXDMSSA-N
XLogP3.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(fluoromethyl)-4-methoxybenzaldehyde
CID 141044211
2-[(dimethylamino)methyl]-4-methoxyphenol
CID 12561113
2-(2-aminooxyethyl)-4-methoxybenzaldehyde
CID 117285082
2-[(2-ethenyl-5-methoxyphenyl)methyl-methylamino]ethanol
CID 15154905
2-[(1-aminocyclopropyl)methyl]-4-methoxybenzaldehyde
CID 117293526
2-[3-(dimethylamino)propoxy]-4-methoxybenzaldehyde
CID 22684190
4-amino-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]benzaldehyde;ethane
CID 170585701
2-[(dimethylamino)methyl]-5-methoxyphenol
CID 18933640
2-[(dimethylamino)methyl]-5-methoxyaniline
CID 53407611
2-(benzenesulfonylmethyl)-4-methoxybenzaldehyde
CID 10935159
[2-[(dimethylamino)methyl]-4-methoxyphenyl] N,N-dimethylcarbamate chloride
CID 53313579
2-(2-chloroethoxy)-5-methoxybenzaldehyde
CID 3828469

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-4-methoxybenzaldehyde;(3Z)-penta-1,3-diene?
The IUPAC name of 2-[(dimethylamino)methyl]-4-methoxybenzaldehyde;(3Z)-penta-1,3-diene (CID 143510544) is 2-[(dimethylamino)methyl]-4-methoxybenzaldehyde;(3Z)-penta-1,3-diene.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4-methoxybenzaldehyde;(3Z)-penta-1,3-diene?
The canonical SMILES for 2-[(dimethylamino)methyl]-4-methoxybenzaldehyde;(3Z)-penta-1,3-diene is C=C/C=C\C.COc1ccc(C=O)c(CN(C)C)c1.
What is the InChIKey of 2-[(dimethylamino)methyl]-4-methoxybenzaldehyde;(3Z)-penta-1,3-diene?
The InChIKey is QYBSEJMYEIAUTJ-GUHKXDMSSA-N. The full InChI is InChI=1S/C11H15NO2.C5H8/c1-12(2)7-10-6-11(14-3)5-4-9(10)8-13;1-3-5-4-2/h4-6,8H,7H2,1-3H3;3-5H,1H2,2H3/b;5-4-.
What are the key properties of 2-[(dimethylamino)methyl]-4-methoxybenzaldehyde;(3Z)-penta-1,3-diene?
2-[(dimethylamino)methyl]-4-methoxybenzaldehyde;(3Z)-penta-1,3-diene has a molecular weight of 261.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-4-methoxybenzaldehyde;(3Z)-penta-1,3-diene is sourced from PubChem (CID 143510544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).