4-methoxy-3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzaldehyde

C16H24N2O2 — CID 63273928

IUPAC4-methoxy-3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzaldehyde
SMILESCOc1ccc(C=O)cc1CN(C)CC1CCN(C)C1
InChIInChI=1S/C16H24N2O2/c1-17-7-6-14(9-17)10-18(2)11-15-8-13(12-19)4-5-16(15)20-3/h4-5,8,12,14H,6-7,9-11H2,1-3H3
InChIKeyBOABAJJUVYFSPV-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.89
Rot. Bonds6

About 4-methoxy-3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzaldehyde

4-methoxy-3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzaldehyde (PubChem CID 63273928) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-methoxy-3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzaldehyde.

Molecular Properties

Compound Name4-methoxy-3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzaldehyde
PubChem CID63273928
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-methoxy-3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzaldehyde
SMILESCOc1ccc(C=O)cc1CN(C)CC1CCN(C)C1
InChIInChI=1S/C16H24N2O2/c1-17-7-6-14(9-17)10-18(2)11-15-8-13(12-19)4-5-16(15)20-3/h4-5,8,12,14H,6-7,9-11H2,1-3H3
InChIKeyBOABAJJUVYFSPV-UHFFFAOYSA-N
XLogP1.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.89
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-methoxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]aniline
CID 63233491
3-methoxy-4-[(1-methylpyrrolidin-3-yl)methoxy]benzaldehyde
CID 117052352
3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-methoxybenzaldehyde
CID 62017023
3-[(dimethylamino)methyl]-4-methoxybenzaldehyde
CID 3159838
2-methoxy-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]aniline
CID 63272706
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 65338284
4-methoxy-3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzaldehyde
CID 62018518
2-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]ethanamine
CID 124753174
3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyaniline
CID 62861974
3-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-methoxybenzaldehyde
CID 62017766
3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxybenzoic acid
CID 62861744
3-[(3-aminopiperidin-1-yl)methyl]-4-methoxybenzaldehyde
CID 62035741

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzaldehyde?
The IUPAC name of 4-methoxy-3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzaldehyde (CID 63273928) is 4-methoxy-3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzaldehyde.
What is the SMILES notation for 4-methoxy-3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzaldehyde?
The canonical SMILES for 4-methoxy-3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzaldehyde is COc1ccc(C=O)cc1CN(C)CC1CCN(C)C1.
What is the InChIKey of 4-methoxy-3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzaldehyde?
The InChIKey is BOABAJJUVYFSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-17-7-6-14(9-17)10-18(2)11-15-8-13(12-19)4-5-16(15)20-3/h4-5,8,12,14H,6-7,9-11H2,1-3H3.
What are the key properties of 4-methoxy-3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzaldehyde?
4-methoxy-3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzaldehyde has a molecular weight of 276.38 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzaldehyde is sourced from PubChem (CID 63273928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).