N-[2-(2-methylphenoxy)ethoxy]-1-(4-phenylphenyl)propan-1-imine

C24H25NO2 — CID 173205673

IUPACN-[2-(2-methylphenoxy)ethoxy]-1-(4-phenylphenyl)propan-1-imine
SMILESCCC(=NOCCOc1ccccc1C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H25NO2/c1-3-23(25-27-18-17-26-24-12-8-7-9-19(24)2)22-15-13-21(14-16-22)20-10-5-4-6-11-20/h4-16H,3,17-18H2,1-2H3
InChIKeyHYBRDYKWCOYTBD-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.87
Rot. Bonds8

About N-[2-(2-methylphenoxy)ethoxy]-1-(4-phenylphenyl)propan-1-imine

N-[2-(2-methylphenoxy)ethoxy]-1-(4-phenylphenyl)propan-1-imine (PubChem CID 173205673) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[2-(2-methylphenoxy)ethoxy]-1-(4-phenylphenyl)propan-1-imine.

Molecular Properties

Compound NameN-[2-(2-methylphenoxy)ethoxy]-1-(4-phenylphenyl)propan-1-imine
PubChem CID173205673
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC NameN-[2-(2-methylphenoxy)ethoxy]-1-(4-phenylphenyl)propan-1-imine
SMILESCCC(=NOCCOc1ccccc1C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H25NO2/c1-3-23(25-27-18-17-26-24-12-8-7-9-19(24)2)22-15-13-21(14-16-22)20-10-5-4-6-11-20/h4-16H,3,17-18H2,1-2H3
InChIKeyHYBRDYKWCOYTBD-UHFFFAOYSA-N
XLogP5.87
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-fluoro-3-[2-[(E)-1-(4-phenylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid
CID 141100568
1-[4-(4-chlorophenyl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine
CID 173205726
2-[4-chloro-3-[2-[(E)-1-(4-phenylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid
CID 87834226
2-[2-methyl-4-[2-[(E)-1-(4-phenylphenyl)propylideneamino]oxyethylsulfanyl]phenoxy]acetic acid
CID 87833830
(E)-1-(4-ethylphenyl)-N-(2-phenoxyethoxy)propan-1-imine
CID 173205764
2-[2-fluoro-5-[2-[1-(4-phenylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid
CID 173169552
2-methyl-2-[3-[2-[(E)-1-(4-phenylphenyl)propylideneamino]oxyethoxy]phenyl]propanoic acid
CID 87832987
2-[2-fluoro-3-[2-[1-(4-pyridin-2-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid
CID 85115675
2-[1-(4-methylphenyl)propylideneamino]oxyethanol
CID 165345466
2-[2-fluoro-3-[2-[1-[4-(trifluoromethyl)phenyl]propylideneamino]oxyethoxy]phenyl]acetic acid
CID 173169530
2-[3-[2-[(E)-1-[4-(2-methoxyphenyl)phenyl]propylideneamino]oxyethoxy]phenyl]acetic acid
CID 87834265
2-[3-[2-[1-[4-(2-methoxyphenyl)phenyl]propylideneamino]oxyethoxy]phenyl]acetic acid
CID 173169351

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenoxy)ethoxy]-1-(4-phenylphenyl)propan-1-imine?
The IUPAC name of N-[2-(2-methylphenoxy)ethoxy]-1-(4-phenylphenyl)propan-1-imine (CID 173205673) is N-[2-(2-methylphenoxy)ethoxy]-1-(4-phenylphenyl)propan-1-imine.
What is the SMILES notation for N-[2-(2-methylphenoxy)ethoxy]-1-(4-phenylphenyl)propan-1-imine?
The canonical SMILES for N-[2-(2-methylphenoxy)ethoxy]-1-(4-phenylphenyl)propan-1-imine is CCC(=NOCCOc1ccccc1C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-(2-methylphenoxy)ethoxy]-1-(4-phenylphenyl)propan-1-imine?
The InChIKey is HYBRDYKWCOYTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-3-23(25-27-18-17-26-24-12-8-7-9-19(24)2)22-15-13-21(14-16-22)20-10-5-4-6-11-20/h4-16H,3,17-18H2,1-2H3.
What are the key properties of N-[2-(2-methylphenoxy)ethoxy]-1-(4-phenylphenyl)propan-1-imine?
N-[2-(2-methylphenoxy)ethoxy]-1-(4-phenylphenyl)propan-1-imine has a molecular weight of 359.47 g/mol, XLogP of 5.87, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenoxy)ethoxy]-1-(4-phenylphenyl)propan-1-imine is sourced from PubChem (CID 173205673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).