(E)-N-[(4-tert-butylphenyl)methoxy]-1-(4-methoxy-3-phenylmethoxyphenyl)methanimine

C26H29NO3 — CID 6906138

IUPAC(E)-N-[(4-tert-butylphenyl)methoxy]-1-(4-methoxy-3-phenylmethoxyphenyl)methanimine
SMILESCOc1ccc(/C=N/OCc2ccc(C(C)(C)C)cc2)cc1OCc1ccccc1
InChIInChI=1S/C26H29NO3/c1-26(2,3)23-13-10-21(11-14-23)19-30-27-17-22-12-15-24(28-4)25(16-22)29-18-20-8-6-5-7-9-20/h5-17H,18-19H2,1-4H3/b27-17+
InChIKeyCGNUYJMINQIKHN-WPWMEQJKSA-N
MW403.52 g/mol
LogP6.12
Rot. Bonds8

About (E)-N-[(4-tert-butylphenyl)methoxy]-1-(4-methoxy-3-phenylmethoxyphenyl)methanimine

(E)-N-[(4-tert-butylphenyl)methoxy]-1-(4-methoxy-3-phenylmethoxyphenyl)methanimine (PubChem CID 6906138) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is (E)-N-[(4-tert-butylphenyl)methoxy]-1-(4-methoxy-3-phenylmethoxyphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[(4-tert-butylphenyl)methoxy]-1-(4-methoxy-3-phenylmethoxyphenyl)methanimine
PubChem CID6906138
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC Name(E)-N-[(4-tert-butylphenyl)methoxy]-1-(4-methoxy-3-phenylmethoxyphenyl)methanimine
SMILESCOc1ccc(/C=N/OCc2ccc(C(C)(C)C)cc2)cc1OCc1ccccc1
InChIInChI=1S/C26H29NO3/c1-26(2,3)23-13-10-21(11-14-23)19-30-27-17-22-12-15-24(28-4)25(16-22)29-18-20-8-6-5-7-9-20/h5-17H,18-19H2,1-4H3/b27-17+
InChIKeyCGNUYJMINQIKHN-WPWMEQJKSA-N
XLogP6.12
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.52
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-[[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxymethyl]benzonitrile
CID 2457929
(E)-1-[3,4-bis(phenylmethoxy)phenyl]-N-[(4-methylphenyl)methoxy]methanimine
CID 6905782
2-methoxy-4-[(E)-phenylmethoxyiminomethyl]phenol
CID 136913659
(Z)-N-[(2-fluorophenyl)methoxy]-1-(3-methoxy-4-phenylmethoxyphenyl)methanimine
CID 7669404
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
1-(4-ethoxy-3-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine
CID 76854403
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-N-phenylaniline
CID 4065737
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine
CID 5008756
N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-methoxy-3-phenylmethoxyphenyl)methanimine
CID 4283687
N'-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 6910290
N-[(E)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxyaniline
CID 110508917
N-[(E)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-methoxybenzamide
CID 110505817

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-tert-butylphenyl)methoxy]-1-(4-methoxy-3-phenylmethoxyphenyl)methanimine?
The IUPAC name of (E)-N-[(4-tert-butylphenyl)methoxy]-1-(4-methoxy-3-phenylmethoxyphenyl)methanimine (CID 6906138) is (E)-N-[(4-tert-butylphenyl)methoxy]-1-(4-methoxy-3-phenylmethoxyphenyl)methanimine.
What is the SMILES notation for (E)-N-[(4-tert-butylphenyl)methoxy]-1-(4-methoxy-3-phenylmethoxyphenyl)methanimine?
The canonical SMILES for (E)-N-[(4-tert-butylphenyl)methoxy]-1-(4-methoxy-3-phenylmethoxyphenyl)methanimine is COc1ccc(/C=N/OCc2ccc(C(C)(C)C)cc2)cc1OCc1ccccc1.
What is the InChIKey of (E)-N-[(4-tert-butylphenyl)methoxy]-1-(4-methoxy-3-phenylmethoxyphenyl)methanimine?
The InChIKey is CGNUYJMINQIKHN-WPWMEQJKSA-N. The full InChI is InChI=1S/C26H29NO3/c1-26(2,3)23-13-10-21(11-14-23)19-30-27-17-22-12-15-24(28-4)25(16-22)29-18-20-8-6-5-7-9-20/h5-17H,18-19H2,1-4H3/b27-17+.
What are the key properties of (E)-N-[(4-tert-butylphenyl)methoxy]-1-(4-methoxy-3-phenylmethoxyphenyl)methanimine?
(E)-N-[(4-tert-butylphenyl)methoxy]-1-(4-methoxy-3-phenylmethoxyphenyl)methanimine has a molecular weight of 403.52 g/mol, XLogP of 6.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-tert-butylphenyl)methoxy]-1-(4-methoxy-3-phenylmethoxyphenyl)methanimine is sourced from PubChem (CID 6906138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).