3-[(dimethylamino)methyl]-4-methoxybenzaldehyde

C11H15NO2 — CID 3159838

IUPAC3-[(dimethylamino)methyl]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1CN(C)C
InChIInChI=1S/C11H15NO2/c1-12(2)7-10-6-9(8-13)4-5-11(10)14-3/h4-6,8H,7H2,1-3H3
InChIKeyXFKLXGABLWFCLC-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.57
Rot. Bonds4

About 3-[(dimethylamino)methyl]-4-methoxybenzaldehyde

3-[(dimethylamino)methyl]-4-methoxybenzaldehyde (PubChem CID 3159838) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-4-methoxybenzaldehyde
PubChem CID3159838
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-[(dimethylamino)methyl]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1CN(C)C
InChIInChI=1S/C11H15NO2/c1-12(2)7-10-6-9(8-13)4-5-11(10)14-3/h4-6,8H,7H2,1-3H3
InChIKeyXFKLXGABLWFCLC-UHFFFAOYSA-N
XLogP1.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.57
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

4-methoxy-3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzaldehyde
CID 81057200
4-methoxy-3-[[methyl(thiolan-3-yl)amino]methyl]benzaldehyde
CID 62052358
3-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-methoxybenzaldehyde
CID 62017766
3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-methoxybenzaldehyde
CID 62017023
4-methoxy-3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzaldehyde
CID 63273928
3-[[[4-(4-fluorophenoxy)phenyl]methyl-methylamino]methyl]-4-methoxybenzaldehyde
CID 88939638
2-[[3-[(dimethylamino)methyl]-4-methoxyphenyl]methylideneamino]guanidine
CID 168592187
4-methoxy-3-(3-methylbutan-2-ylsulfanylmethyl)benzaldehyde
CID 103706200
3-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-4-methoxybenzaldehyde
CID 62029913
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-4-methoxybenzaldehyde
CID 102722538
3-(but-3-enoxymethyl)-4-methoxybenzaldehyde
CID 62031393
3-[(3-aminopiperidin-1-yl)methyl]-4-methoxybenzaldehyde
CID 62035741

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-4-methoxybenzaldehyde?
The IUPAC name of 3-[(dimethylamino)methyl]-4-methoxybenzaldehyde (CID 3159838) is 3-[(dimethylamino)methyl]-4-methoxybenzaldehyde.
What is the SMILES notation for 3-[(dimethylamino)methyl]-4-methoxybenzaldehyde?
The canonical SMILES for 3-[(dimethylamino)methyl]-4-methoxybenzaldehyde is COc1ccc(C=O)cc1CN(C)C.
What is the InChIKey of 3-[(dimethylamino)methyl]-4-methoxybenzaldehyde?
The InChIKey is XFKLXGABLWFCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-12(2)7-10-6-9(8-13)4-5-11(10)14-3/h4-6,8H,7H2,1-3H3.
What are the key properties of 3-[(dimethylamino)methyl]-4-methoxybenzaldehyde?
3-[(dimethylamino)methyl]-4-methoxybenzaldehyde has a molecular weight of 193.25 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-4-methoxybenzaldehyde is sourced from PubChem (CID 3159838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).