1-[4-(4-chlorophenyl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine

C23H22ClNO2 — CID 173205726

IUPAC1-[4-(4-chlorophenyl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine
SMILESCCC(=NOCCOc1ccccc1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H22ClNO2/c1-2-23(25-27-17-16-26-22-6-4-3-5-7-22)20-10-8-18(9-11-20)19-12-14-21(24)15-13-19/h3-15H,2,16-17H2,1H3
InChIKeyWBXVWXTWXMSIDD-UHFFFAOYSA-N
MW379.89 g/mol
LogP6.22
Rot. Bonds8

About 1-[4-(4-chlorophenyl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine

1-[4-(4-chlorophenyl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine (PubChem CID 173205726) has the molecular formula C23H22ClNO2 and a molecular weight of 379.89 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine
PubChem CID173205726
Molecular FormulaC23H22ClNO2
Molecular Weight379.89 g/mol
Exact Mass379.13
IUPAC Name1-[4-(4-chlorophenyl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine
SMILESCCC(=NOCCOc1ccccc1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H22ClNO2/c1-2-23(25-27-17-16-26-22-6-4-3-5-7-22)20-10-8-18(9-11-20)19-12-14-21(24)15-13-19/h3-15H,2,16-17H2,1H3
InChIKeyWBXVWXTWXMSIDD-UHFFFAOYSA-N
XLogP6.22
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.89
LogP ≤ 56.22
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

(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
N-[2-(2-methylphenoxy)ethoxy]-1-(4-phenylphenyl)propan-1-imine
CID 173205673
2-methyl-2-[3-[2-[(E)-1-(4-phenylphenyl)propylideneamino]oxyethoxy]phenyl]propanoic acid
CID 87832987
(E)-1-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine
CID 141100573
2-[4-chloro-3-[2-[(E)-1-(4-phenylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid
CID 87834226
2-[3-[2-[(E)-1-[4-(2-fluorophenyl)phenyl]propylideneamino]oxyethoxy]phenyl]acetic acid
CID 87833804
2-[3-[2-[(E)-1-(4-pyridin-4-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid
CID 87834088
2-[2-fluoro-3-[2-[(E)-1-(4-phenylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid
CID 141100568
2-[3-[2-[1-[4-(2-methoxyphenyl)phenyl]propylideneamino]oxyethoxy]phenyl]acetic acid
CID 173169351
2-[3-[2-[(E)-1-[4-(2-methoxyphenyl)phenyl]propylideneamino]oxyethoxy]phenyl]acetic acid
CID 87834265
1-(4-phenylphenyl)-N-[2-[4-[(3-trityl-1,3-thiazolidin-5-yl)methyl]phenoxy]ethoxy]propan-1-imine
CID 139712892

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine?
The IUPAC name of 1-[4-(4-chlorophenyl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine (CID 173205726) is 1-[4-(4-chlorophenyl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine.
What is the SMILES notation for 1-[4-(4-chlorophenyl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine?
The canonical SMILES for 1-[4-(4-chlorophenyl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine is CCC(=NOCCOc1ccccc1)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine?
The InChIKey is WBXVWXTWXMSIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO2/c1-2-23(25-27-17-16-26-22-6-4-3-5-7-22)20-10-8-18(9-11-20)19-12-14-21(24)15-13-19/h3-15H,2,16-17H2,1H3.
What are the key properties of 1-[4-(4-chlorophenyl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine?
1-[4-(4-chlorophenyl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine has a molecular weight of 379.89 g/mol, XLogP of 6.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine is sourced from PubChem (CID 173205726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).