3-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde

C22H21NO2 — CID 134357887

IUPAC3-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde
SMILESCNC(c1ccccc1)c1cccc(OCc2cccc(C=O)c2)c1
InChIInChI=1S/C22H21NO2/c1-23-22(19-9-3-2-4-10-19)20-11-6-12-21(14-20)25-16-18-8-5-7-17(13-18)15-24/h2-15,22-23H,16H2,1H3
InChIKeyBQRUJFYLFKUWIE-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.39
Rot. Bonds7

About 3-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde

3-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde (PubChem CID 134357887) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde.

Molecular Properties

Compound Name3-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde
PubChem CID134357887
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name3-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde
SMILESCNC(c1ccccc1)c1cccc(OCc2cccc(C=O)c2)c1
InChIInChI=1S/C22H21NO2/c1-23-22(19-9-3-2-4-10-19)20-11-6-12-21(14-20)25-16-18-8-5-7-17(13-18)15-24/h2-15,22-23H,16H2,1H3
InChIKeyBQRUJFYLFKUWIE-UHFFFAOYSA-N
XLogP4.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde
CID 134287880
3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
CID 11156824
3-[[3-(1-hydroxyhexyl)phenoxy]methyl]benzaldehyde
CID 21288538
N,3-dimethyl-1-(3-phenylmethoxyphenyl)but-2-en-1-amine
CID 105163254
3-[(4-methoxy-3-phenylmethoxyphenyl)methoxy]benzaldehyde
CID 11484837
2-methoxy-2-(3-phenylmethoxyphenyl)acetaldehyde
CID 87552555
(3-formylphenyl)methyl 4-[[3-[[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxycarbonylamino]-phenylmethyl]phenoxy]methyl]benzoate
CID 90200808
3-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 14972990
4-methylbenzaldehyde;3-[(4-methylphenyl)methoxy]benzaldehyde
CID 161145970
1-[3-[(3-bromophenyl)methoxy]phenyl]-N-methylethanamine
CID 60883448
3-[(4-hydroxy-3-methylsulfanylphenyl)methoxy]benzaldehyde
CID 88610962
3-[(3-formylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide
CID 30024854

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde?
The IUPAC name of 3-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde (CID 134357887) is 3-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde.
What is the SMILES notation for 3-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde?
The canonical SMILES for 3-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde is CNC(c1ccccc1)c1cccc(OCc2cccc(C=O)c2)c1.
What is the InChIKey of 3-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde?
The InChIKey is BQRUJFYLFKUWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-23-22(19-9-3-2-4-10-19)20-11-6-12-21(14-20)25-16-18-8-5-7-17(13-18)15-24/h2-15,22-23H,16H2,1H3.
What are the key properties of 3-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde?
3-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde has a molecular weight of 331.42 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde is sourced from PubChem (CID 134357887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).