3-[[benzyl(ethyl)amino]methyl]-4-phenylmethoxybenzaldehyde

C24H25NO2 — CID 22716790

IUPAC3-[[benzyl(ethyl)amino]methyl]-4-phenylmethoxybenzaldehyde
SMILESCCN(Cc1ccccc1)Cc1cc(C=O)ccc1OCc1ccccc1
InChIInChI=1S/C24H25NO2/c1-2-25(16-20-9-5-3-6-10-20)17-23-15-22(18-26)13-14-24(23)27-19-21-11-7-4-8-12-21/h3-15,18H,2,16-17,19H2,1H3
InChIKeyOCJFKUWWKOCXIN-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.10
Rot. Bonds9

About 3-[[benzyl(ethyl)amino]methyl]-4-phenylmethoxybenzaldehyde

3-[[benzyl(ethyl)amino]methyl]-4-phenylmethoxybenzaldehyde (PubChem CID 22716790) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-[[benzyl(ethyl)amino]methyl]-4-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name3-[[benzyl(ethyl)amino]methyl]-4-phenylmethoxybenzaldehyde
PubChem CID22716790
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name3-[[benzyl(ethyl)amino]methyl]-4-phenylmethoxybenzaldehyde
SMILESCCN(Cc1ccccc1)Cc1cc(C=O)ccc1OCc1ccccc1
InChIInChI=1S/C24H25NO2/c1-2-25(16-20-9-5-3-6-10-20)17-23-15-22(18-26)13-14-24(23)27-19-21-11-7-4-8-12-21/h3-15,18H,2,16-17,19H2,1H3
InChIKeyOCJFKUWWKOCXIN-UHFFFAOYSA-N
XLogP5.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.10
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

3-[[benzyl(ethyl)amino]methyl]-4-phenylbenzaldehyde
CID 89003105
3-[(benzylamino)methyl]-4-phenylmethoxybenzaldehyde
CID 139985120
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
(4-formyl-2-phenylmethoxyphenyl) acetate
CID 71357562
4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde
CID 10562246
bis(5-formyl-2-phenylmethoxyphenyl)iodanium bromide
CID 11204409
5-formyl-2-phenylmethoxybenzoic acid
CID 969870
4-(4-bromo-3-phenylmethoxyphenyl)benzaldehyde
CID 170459869
N-(5-formyl-2-phenylmethoxyphenyl)methanesulfonamide
CID 82096959
N-ethyl-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 4675153
3-benzyl-4-prop-2-enoxybenzaldehyde
CID 130337135
3-[(4-benzylpiperidin-1-yl)methyl]-4-phenylmethoxybenzaldehyde
CID 22716807

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(ethyl)amino]methyl]-4-phenylmethoxybenzaldehyde?
The IUPAC name of 3-[[benzyl(ethyl)amino]methyl]-4-phenylmethoxybenzaldehyde (CID 22716790) is 3-[[benzyl(ethyl)amino]methyl]-4-phenylmethoxybenzaldehyde.
What is the SMILES notation for 3-[[benzyl(ethyl)amino]methyl]-4-phenylmethoxybenzaldehyde?
The canonical SMILES for 3-[[benzyl(ethyl)amino]methyl]-4-phenylmethoxybenzaldehyde is CCN(Cc1ccccc1)Cc1cc(C=O)ccc1OCc1ccccc1.
What is the InChIKey of 3-[[benzyl(ethyl)amino]methyl]-4-phenylmethoxybenzaldehyde?
The InChIKey is OCJFKUWWKOCXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-2-25(16-20-9-5-3-6-10-20)17-23-15-22(18-26)13-14-24(23)27-19-21-11-7-4-8-12-21/h3-15,18H,2,16-17,19H2,1H3.
What are the key properties of 3-[[benzyl(ethyl)amino]methyl]-4-phenylmethoxybenzaldehyde?
3-[[benzyl(ethyl)amino]methyl]-4-phenylmethoxybenzaldehyde has a molecular weight of 359.47 g/mol, XLogP of 5.10, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(ethyl)amino]methyl]-4-phenylmethoxybenzaldehyde is sourced from PubChem (CID 22716790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).