(E)-1-(2,5-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine

C13H19NO — CID 141214714

IUPAC(E)-1-(2,5-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine
SMILESCc1ccc(C)c(/C=N/OC(C)(C)C)c1
InChIInChI=1S/C13H19NO/c1-10-6-7-11(2)12(8-10)9-14-15-13(3,4)5/h6-9H,1-5H3/b14-9+
InChIKeyFLLDFLQGHMREEO-NTEUORMPSA-N
MW205.30 g/mol
LogP3.45
Rot. Bonds2

About (E)-1-(2,5-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine

(E)-1-(2,5-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine (PubChem CID 141214714) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (E)-1-(2,5-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine.

Molecular Properties

Compound Name(E)-1-(2,5-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine
PubChem CID141214714
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(E)-1-(2,5-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine
SMILESCc1ccc(C)c(/C=N/OC(C)(C)C)c1
InChIInChI=1S/C13H19NO/c1-10-6-7-11(2)12(8-10)9-14-15-13(3,4)5/h6-9H,1-5H3/b14-9+
InChIKeyFLLDFLQGHMREEO-NTEUORMPSA-N
XLogP3.45
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-1-(6-fluoro-2,5-dimethyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanimine
CID 168962653
2-[(E)-methoxyiminomethyl]-4-methylphenol
CID 137270598
2-[2-[4-[2-(2,5-dimethylphenyl)ethenyl]phenyl]ethenyl]-1,4-dimethylbenzene
CID 71374373
(Z)-2-(2,5-dimethylphenyl)ethenethiol;ethane
CID 143503562
2,5-dimethylbenzaldehyde;ethane
CID 142106726
1,4-dimethyl-2-[(Z)-3-methylbut-1-enyl]benzene
CID 143887772
4-[(Z)-(2-methylpropan-2-yl)oxyiminomethyl]benzene-1,3-disulfonic acid
CID 166706711
1-[(2,5-dimethylphenyl)methylideneamino]-3-methylthiourea
CID 2401297
tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
N-tert-butyl-1-(2-iodo-5-methylphenyl)methanimine
CID 90254069
1-tert-butyl-4-ethenylbenzene;2-ethenyl-1,4-dimethylbenzene
CID 19908653
4-methyl-2-[(E)-2-(2-methylphenyl)ethenyl]phenol
CID 68737342

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,5-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine?
The IUPAC name of (E)-1-(2,5-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine (CID 141214714) is (E)-1-(2,5-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine.
What is the SMILES notation for (E)-1-(2,5-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine?
The canonical SMILES for (E)-1-(2,5-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine is Cc1ccc(C)c(/C=N/OC(C)(C)C)c1.
What is the InChIKey of (E)-1-(2,5-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine?
The InChIKey is FLLDFLQGHMREEO-NTEUORMPSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-6-7-11(2)12(8-10)9-14-15-13(3,4)5/h6-9H,1-5H3/b14-9+.
What are the key properties of (E)-1-(2,5-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine?
(E)-1-(2,5-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine has a molecular weight of 205.30 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,5-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine is sourced from PubChem (CID 141214714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).