(E)-1-(4-ethylphenyl)-N-(2-phenoxyethoxy)propan-1-imine

C19H23NO2 — CID 173205764

IUPAC(E)-1-(4-ethylphenyl)-N-(2-phenoxyethoxy)propan-1-imine
SMILESCC/C(=N\OCCOc1ccccc1)c1ccc(CC)cc1
InChIInChI=1S/C19H23NO2/c1-3-16-10-12-17(13-11-16)19(4-2)20-22-15-14-21-18-8-6-5-7-9-18/h5-13H,3-4,14-15H2,1-2H3/b20-19+
InChIKeyAUIBIAWBSPAXDJ-FMQUCBEESA-N
MW297.40 g/mol
LogP4.46
Rot. Bonds8

About (E)-1-(4-ethylphenyl)-N-(2-phenoxyethoxy)propan-1-imine

(E)-1-(4-ethylphenyl)-N-(2-phenoxyethoxy)propan-1-imine (PubChem CID 173205764) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (E)-1-(4-ethylphenyl)-N-(2-phenoxyethoxy)propan-1-imine.

Molecular Properties

Compound Name(E)-1-(4-ethylphenyl)-N-(2-phenoxyethoxy)propan-1-imine
PubChem CID173205764
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(E)-1-(4-ethylphenyl)-N-(2-phenoxyethoxy)propan-1-imine
SMILESCC/C(=N\OCCOc1ccccc1)c1ccc(CC)cc1
InChIInChI=1S/C19H23NO2/c1-3-16-10-12-17(13-11-16)19(4-2)20-22-15-14-21-18-8-6-5-7-9-18/h5-13H,3-4,14-15H2,1-2H3/b20-19+
InChIKeyAUIBIAWBSPAXDJ-FMQUCBEESA-N
XLogP4.46
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.46
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

1-[4-(4-chlorophenyl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine
CID 173205726
(E)-1-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine
CID 141100573
1-(4-ethylphenyl)-3-phenoxypropan-1-one
CID 62545024
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
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-5-[2-[1-(4-phenylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid
CID 173169552
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
2-[4-chloro-3-[2-[(E)-1-(4-phenylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid
CID 87834226

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-ethylphenyl)-N-(2-phenoxyethoxy)propan-1-imine?
The IUPAC name of (E)-1-(4-ethylphenyl)-N-(2-phenoxyethoxy)propan-1-imine (CID 173205764) is (E)-1-(4-ethylphenyl)-N-(2-phenoxyethoxy)propan-1-imine.
What is the SMILES notation for (E)-1-(4-ethylphenyl)-N-(2-phenoxyethoxy)propan-1-imine?
The canonical SMILES for (E)-1-(4-ethylphenyl)-N-(2-phenoxyethoxy)propan-1-imine is CC/C(=N\OCCOc1ccccc1)c1ccc(CC)cc1.
What is the InChIKey of (E)-1-(4-ethylphenyl)-N-(2-phenoxyethoxy)propan-1-imine?
The InChIKey is AUIBIAWBSPAXDJ-FMQUCBEESA-N. The full InChI is InChI=1S/C19H23NO2/c1-3-16-10-12-17(13-11-16)19(4-2)20-22-15-14-21-18-8-6-5-7-9-18/h5-13H,3-4,14-15H2,1-2H3/b20-19+.
What are the key properties of (E)-1-(4-ethylphenyl)-N-(2-phenoxyethoxy)propan-1-imine?
(E)-1-(4-ethylphenyl)-N-(2-phenoxyethoxy)propan-1-imine has a molecular weight of 297.40 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-ethylphenyl)-N-(2-phenoxyethoxy)propan-1-imine is sourced from PubChem (CID 173205764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).