(E)-N-phenoxy-1-(4-phenylmethoxyphenyl)ethanimine

C21H19NO2 — CID 177429054

IUPAC(E)-N-phenoxy-1-(4-phenylmethoxyphenyl)ethanimine
SMILESC/C(=N\Oc1ccccc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H19NO2/c1-17(22-24-21-10-6-3-7-11-21)19-12-14-20(15-13-19)23-16-18-8-4-2-5-9-18/h2-15H,16H2,1H3/b22-17+
InChIKeyJJMSRRIQSAHIGB-OQKWZONESA-N
MW317.39 g/mol
LogP5.07
Rot. Bonds6

About (E)-N-phenoxy-1-(4-phenylmethoxyphenyl)ethanimine

(E)-N-phenoxy-1-(4-phenylmethoxyphenyl)ethanimine (PubChem CID 177429054) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (E)-N-phenoxy-1-(4-phenylmethoxyphenyl)ethanimine.

Molecular Properties

Compound Name(E)-N-phenoxy-1-(4-phenylmethoxyphenyl)ethanimine
PubChem CID177429054
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name(E)-N-phenoxy-1-(4-phenylmethoxyphenyl)ethanimine
SMILESC/C(=N\Oc1ccccc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H19NO2/c1-17(22-24-21-10-6-3-7-11-21)19-12-14-20(15-13-19)23-16-18-8-4-2-5-9-18/h2-15H,16H2,1H3/b22-17+
InChIKeyJJMSRRIQSAHIGB-OQKWZONESA-N
XLogP5.07
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.39
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-phenoxy-1-phenylethanimine
CID 42624945
1-(4-ethoxyphenyl)-N-phenylmethoxyethanimine
CID 141463783
1-(3-methylbut-2-en-2-yl)-4-phenylmethoxybenzene
CID 174702453
4-phenylmethoxybenzoic acid
CID 68896574
3-[1-(4-phenylmethoxyphenyl)ethylideneamino]pyridin-2-amine
CID 20716495
N-[1-(4-bromophenyl)ethylideneamino]-4-phenylmethoxybenzamide
CID 4933030
N-(4-acetylphenyl)-N'-(4-phenylmethoxyphenyl)oxamide
CID 108987469
(NE)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 24709882
4-phenylmethoxybenzoyl fluoride
CID 154719359
(E)-1-(4-bromophenyl)-N-phenylmethoxyethanimine
CID 71724198
N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine
CID 88750073
2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
CID 14125672

Frequently Asked Questions

What is the IUPAC name of (E)-N-phenoxy-1-(4-phenylmethoxyphenyl)ethanimine?
The IUPAC name of (E)-N-phenoxy-1-(4-phenylmethoxyphenyl)ethanimine (CID 177429054) is (E)-N-phenoxy-1-(4-phenylmethoxyphenyl)ethanimine.
What is the SMILES notation for (E)-N-phenoxy-1-(4-phenylmethoxyphenyl)ethanimine?
The canonical SMILES for (E)-N-phenoxy-1-(4-phenylmethoxyphenyl)ethanimine is C/C(=N\Oc1ccccc1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (E)-N-phenoxy-1-(4-phenylmethoxyphenyl)ethanimine?
The InChIKey is JJMSRRIQSAHIGB-OQKWZONESA-N. The full InChI is InChI=1S/C21H19NO2/c1-17(22-24-21-10-6-3-7-11-21)19-12-14-20(15-13-19)23-16-18-8-4-2-5-9-18/h2-15H,16H2,1H3/b22-17+.
What are the key properties of (E)-N-phenoxy-1-(4-phenylmethoxyphenyl)ethanimine?
(E)-N-phenoxy-1-(4-phenylmethoxyphenyl)ethanimine has a molecular weight of 317.39 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-phenoxy-1-(4-phenylmethoxyphenyl)ethanimine is sourced from PubChem (CID 177429054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).