4-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde

C22H21NO2 — CID 134287880

IUPAC4-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde
SMILESCNC(c1ccccc1)c1cccc(OCc2ccc(C=O)cc2)c1
InChIInChI=1S/C22H21NO2/c1-23-22(19-6-3-2-4-7-19)20-8-5-9-21(14-20)25-16-18-12-10-17(15-24)11-13-18/h2-15,22-23H,16H2,1H3
InChIKeySNTLDCSYPHPXKF-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.39
Rot. Bonds7

About 4-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde

4-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde (PubChem CID 134287880) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde.

Molecular Properties

Compound Name4-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde
PubChem CID134287880
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name4-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde
SMILESCNC(c1ccccc1)c1cccc(OCc2ccc(C=O)cc2)c1
InChIInChI=1S/C22H21NO2/c1-23-22(19-6-3-2-4-7-19)20-8-5-9-21(14-20)25-16-18-12-10-17(15-24)11-13-18/h2-15,22-23H,16H2,1H3
InChIKeySNTLDCSYPHPXKF-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'}

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Related Compounds

3-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde
CID 134357887
4-methylbenzaldehyde;3-[(4-methylphenyl)methoxy]benzaldehyde
CID 161145970
N,3-dimethyl-1-(3-phenylmethoxyphenyl)but-2-en-1-amine
CID 105163254
2-methoxy-2-(3-phenylmethoxyphenyl)acetaldehyde
CID 87552555
3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
CID 11156824
3-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 14972990
1-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylethanamine
CID 60883450
4-(2,6-dimethyl-4-phenylmethoxyphenyl)benzaldehyde
CID 101137305
N-methyl-1-phenyl-1-[3-(trifluoromethoxy)phenyl]methanamine
CID 62916540
4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde
CID 19038438
1-(4-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 60864424
1-(3-ethoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 60819656

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde?
The IUPAC name of 4-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde (CID 134287880) is 4-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde.
What is the SMILES notation for 4-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde?
The canonical SMILES for 4-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde is CNC(c1ccccc1)c1cccc(OCc2ccc(C=O)cc2)c1.
What is the InChIKey of 4-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde?
The InChIKey is SNTLDCSYPHPXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-23-22(19-6-3-2-4-7-19)20-8-5-9-21(14-20)25-16-18-12-10-17(15-24)11-13-18/h2-15,22-23H,16H2,1H3.
What are the key properties of 4-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde?
4-[[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 4-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde is sourced from PubChem (CID 134287880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).