4-[(3-methoxyphenyl)methyl-methylamino]benzaldehyde

C16H17NO2 — CID 61418108

IUPAC4-[(3-methoxyphenyl)methyl-methylamino]benzaldehyde
SMILESCOc1cccc(CN(C)c2ccc(C=O)cc2)c1
InChIInChI=1S/C16H17NO2/c1-17(15-8-6-13(12-18)7-9-15)11-14-4-3-5-16(10-14)19-2/h3-10,12H,11H2,1-2H3
InChIKeyRZLIIFSXLZFXRJ-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.14
Rot. Bonds5

About 4-[(3-methoxyphenyl)methyl-methylamino]benzaldehyde

4-[(3-methoxyphenyl)methyl-methylamino]benzaldehyde (PubChem CID 61418108) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methyl-methylamino]benzaldehyde.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)methyl-methylamino]benzaldehyde
PubChem CID61418108
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name4-[(3-methoxyphenyl)methyl-methylamino]benzaldehyde
SMILESCOc1cccc(CN(C)c2ccc(C=O)cc2)c1
InChIInChI=1S/C16H17NO2/c1-17(15-8-6-13(12-18)7-9-15)11-14-4-3-5-16(10-14)19-2/h3-10,12H,11H2,1-2H3
InChIKeyRZLIIFSXLZFXRJ-UHFFFAOYSA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.14
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

N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
3-[(N-methylanilino)methyl]benzaldehyde
CID 122476125
3-[(3-methoxyphenyl)methyl-methylamino]benzoic acid
CID 39369981
2-ethoxy-4-N-[(3-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 63671838
benzaldehyde;2-(3-methoxyphenyl)ethanamine
CID 89401887
4-formyl-N-[(3-methoxyphenyl)methyl]benzamide
CID 155923762
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
2-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 61418078
6-[(3-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
CID 80631360
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
(3-methoxyphenyl)methyl-methylsulfamic acid
CID 112705076
4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine
CID 117041341

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methyl-methylamino]benzaldehyde?
The IUPAC name of 4-[(3-methoxyphenyl)methyl-methylamino]benzaldehyde (CID 61418108) is 4-[(3-methoxyphenyl)methyl-methylamino]benzaldehyde.
What is the SMILES notation for 4-[(3-methoxyphenyl)methyl-methylamino]benzaldehyde?
The canonical SMILES for 4-[(3-methoxyphenyl)methyl-methylamino]benzaldehyde is COc1cccc(CN(C)c2ccc(C=O)cc2)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)methyl-methylamino]benzaldehyde?
The InChIKey is RZLIIFSXLZFXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-17(15-8-6-13(12-18)7-9-15)11-14-4-3-5-16(10-14)19-2/h3-10,12H,11H2,1-2H3.
What are the key properties of 4-[(3-methoxyphenyl)methyl-methylamino]benzaldehyde?
4-[(3-methoxyphenyl)methyl-methylamino]benzaldehyde has a molecular weight of 255.32 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)methyl-methylamino]benzaldehyde is sourced from PubChem (CID 61418108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).