2-[4-(4-phenylmethoxyanilino)phenyl]acetaldehyde

C21H19NO2 — CID 118960659

IUPAC2-[4-(4-phenylmethoxyanilino)phenyl]acetaldehyde
SMILESO=CCc1ccc(Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C21H19NO2/c23-15-14-17-6-8-19(9-7-17)22-20-10-12-21(13-11-20)24-16-18-4-2-1-3-5-18/h1-13,15,22H,14,16H2
InChIKeyGFRYZFFAASSYLI-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.75
Rot. Bonds7

About 2-[4-(4-phenylmethoxyanilino)phenyl]acetaldehyde

2-[4-(4-phenylmethoxyanilino)phenyl]acetaldehyde (PubChem CID 118960659) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[4-(4-phenylmethoxyanilino)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[4-(4-phenylmethoxyanilino)phenyl]acetaldehyde
PubChem CID118960659
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name2-[4-(4-phenylmethoxyanilino)phenyl]acetaldehyde
SMILESO=CCc1ccc(Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C21H19NO2/c23-15-14-17-6-8-19(9-7-17)22-20-10-12-21(13-11-20)24-16-18-4-2-1-3-5-18/h1-13,15,22H,14,16H2
InChIKeyGFRYZFFAASSYLI-UHFFFAOYSA-N
XLogP4.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.75
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

N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)aniline
CID 23393373
2-(4-phenylmethoxyanilino)propanoic acid
CID 22078170
N-[4-(4-phenylmethoxyanilino)phenyl]propane-1-sulfonamide
CID 112988919
N-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide
CID 112988911
[4-[4-[4-[(4-methylphenoxy)methyl]benzoyl]anilino]phenyl]-phenylmethanone
CID 58819189
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
N-methyl-4-phenylmethoxyaniline;hydrochloride
CID 75481675
2-[2,4-bis(phenylmethoxy)phenyl]acetaldehyde
CID 6709912
6-fluoro-N-(4-phenylmethoxyphenyl)pyridin-2-amine
CID 130565967
2-[(4-phenylmethoxyanilino)methylidene]propanedioic acid
CID 134603737
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]formamide
CID 6901375
bis[(4-phenylmethoxyphenyl)methyl] propanedioate
CID 57028067

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-phenylmethoxyanilino)phenyl]acetaldehyde?
The IUPAC name of 2-[4-(4-phenylmethoxyanilino)phenyl]acetaldehyde (CID 118960659) is 2-[4-(4-phenylmethoxyanilino)phenyl]acetaldehyde.
What is the SMILES notation for 2-[4-(4-phenylmethoxyanilino)phenyl]acetaldehyde?
The canonical SMILES for 2-[4-(4-phenylmethoxyanilino)phenyl]acetaldehyde is O=CCc1ccc(Nc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 2-[4-(4-phenylmethoxyanilino)phenyl]acetaldehyde?
The InChIKey is GFRYZFFAASSYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c23-15-14-17-6-8-19(9-7-17)22-20-10-12-21(13-11-20)24-16-18-4-2-1-3-5-18/h1-13,15,22H,14,16H2.
What are the key properties of 2-[4-(4-phenylmethoxyanilino)phenyl]acetaldehyde?
2-[4-(4-phenylmethoxyanilino)phenyl]acetaldehyde has a molecular weight of 317.39 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-phenylmethoxyanilino)phenyl]acetaldehyde is sourced from PubChem (CID 118960659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).