N-(2-phenoxyethoxy)-1-phenyl-1-pyridin-4-ylmethanimine

C20H18N2O2 — CID 173361328

IUPACN-(2-phenoxyethoxy)-1-phenyl-1-pyridin-4-ylmethanimine
SMILESc1ccc(OCCON=C(c2ccccc2)c2ccncc2)cc1
InChIInChI=1S/C20H18N2O2/c1-3-7-17(8-4-1)20(18-11-13-21-14-12-18)22-24-16-15-23-19-9-5-2-6-10-19/h1-14H,15-16H2
InChIKeyAINGUVMNMGJUKC-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.93
Rot. Bonds7

About N-(2-phenoxyethoxy)-1-phenyl-1-pyridin-4-ylmethanimine

N-(2-phenoxyethoxy)-1-phenyl-1-pyridin-4-ylmethanimine (PubChem CID 173361328) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(2-phenoxyethoxy)-1-phenyl-1-pyridin-4-ylmethanimine.

Molecular Properties

Compound NameN-(2-phenoxyethoxy)-1-phenyl-1-pyridin-4-ylmethanimine
PubChem CID173361328
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC NameN-(2-phenoxyethoxy)-1-phenyl-1-pyridin-4-ylmethanimine
SMILESc1ccc(OCCON=C(c2ccccc2)c2ccncc2)cc1
InChIInChI=1S/C20H18N2O2/c1-3-7-17(8-4-1)20(18-11-13-21-14-12-18)22-24-16-15-23-19-9-5-2-6-10-19/h1-14H,15-16H2
InChIKeyAINGUVMNMGJUKC-UHFFFAOYSA-N
XLogP3.93
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[[phenyl(pyridin-4-yl)methylidene]amino] benzoate
CID 3506400
N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1,1-diphenylmethanimine
CID 15954166
N-(3,3-dimethylbutoxy)-1,1-diphenylmethanimine
CID 164930301
4-[(E)-[phenyl(pyrimidin-4-yl)methylidene]amino]oxybutanoic acid
CID 10731842
N-[2-(2-phenoxyethoxy)phenyl]pyridine-4-carboxamide
CID 17130921
2-[3-[3-[[phenyl(pyridin-3-yl)methylidene]amino]oxypropyl]phenoxy]acetic acid
CID 54181595
(E)-1-(4-ethylphenyl)-N-(2-phenoxyethoxy)propan-1-imine
CID 173205764
3-phenoxy-1-pyridin-4-ylpropan-1-ol
CID 115003137
2-phenoxyethylmercury
CID 163598363
1-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethoxy]-1-pyridin-4-ylmethanimine
CID 173361339
4-(5-phenoxypentyl)pyridine
CID 117060417
(E)-N-butoxy-1-phenyl-1-pyridazin-3-ylmethanimine
CID 10753511

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethoxy)-1-phenyl-1-pyridin-4-ylmethanimine?
The IUPAC name of N-(2-phenoxyethoxy)-1-phenyl-1-pyridin-4-ylmethanimine (CID 173361328) is N-(2-phenoxyethoxy)-1-phenyl-1-pyridin-4-ylmethanimine.
What is the SMILES notation for N-(2-phenoxyethoxy)-1-phenyl-1-pyridin-4-ylmethanimine?
The canonical SMILES for N-(2-phenoxyethoxy)-1-phenyl-1-pyridin-4-ylmethanimine is c1ccc(OCCON=C(c2ccccc2)c2ccncc2)cc1.
What is the InChIKey of N-(2-phenoxyethoxy)-1-phenyl-1-pyridin-4-ylmethanimine?
The InChIKey is AINGUVMNMGJUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-3-7-17(8-4-1)20(18-11-13-21-14-12-18)22-24-16-15-23-19-9-5-2-6-10-19/h1-14H,15-16H2.
What are the key properties of N-(2-phenoxyethoxy)-1-phenyl-1-pyridin-4-ylmethanimine?
N-(2-phenoxyethoxy)-1-phenyl-1-pyridin-4-ylmethanimine has a molecular weight of 318.38 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethoxy)-1-phenyl-1-pyridin-4-ylmethanimine is sourced from PubChem (CID 173361328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).