1-[3-(2,2-dimethylpropoxy)phenyl]-N-methoxyethanimine

C14H21NO2 — CID 72592560

IUPAC1-[3-(2,2-dimethylpropoxy)phenyl]-N-methoxyethanimine
SMILESCON=C(C)c1cccc(OCC(C)(C)C)c1
InChIInChI=1S/C14H21NO2/c1-11(15-16-5)12-7-6-8-13(9-12)17-10-14(2,3)4/h6-9H,10H2,1-5H3
InChIKeyUWSMJOFDCUDRKA-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.48
Rot. Bonds4

About 1-[3-(2,2-dimethylpropoxy)phenyl]-N-methoxyethanimine

1-[3-(2,2-dimethylpropoxy)phenyl]-N-methoxyethanimine (PubChem CID 72592560) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[3-(2,2-dimethylpropoxy)phenyl]-N-methoxyethanimine.

Molecular Properties

Compound Name1-[3-(2,2-dimethylpropoxy)phenyl]-N-methoxyethanimine
PubChem CID72592560
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[3-(2,2-dimethylpropoxy)phenyl]-N-methoxyethanimine
SMILESCON=C(C)c1cccc(OCC(C)(C)C)c1
InChIInChI=1S/C14H21NO2/c1-11(15-16-5)12-7-6-8-13(9-12)17-10-14(2,3)4/h6-9H,10H2,1-5H3
InChIKeyUWSMJOFDCUDRKA-UHFFFAOYSA-N
XLogP3.48
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.48
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)-1-[3-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine
CID 22963052
3-[(E)-N-methoxy-C-methylcarbonimidoyl]aniline
CID 83525120
[(E)-1-(3-methoxyphenyl)ethylideneamino] 2,2-dimethylpropanoate
CID 138968016
(E)-1-[3-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]phenyl]-N-methoxyethanimine
CID 23379289
N-methoxy-1-pyridin-3-ylethanimine
CID 57395319
(E)-N-(2,2-dimethylpropoxy)-1-phenylethanimine
CID 88980385
1-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenyl]peroxyphenyl]-N-methoxyethanimine
CID 90751159
3-[3-(2,2-dimethylpropoxy)phenyl]-2-methylprop-2-enenitrile
CID 174135410
3-(3-acetylphenoxy)-2,2-dimethylpropanoic acid
CID 79623207
1-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethylideneamino]ethanimine
CID 791623
1-[(E)-1-[3-[[3,4-bis(hydroxymethyl)phenyl]methoxy]phenyl]ethylideneamino]oxy-2-methylpropan-2-ol
CID 87950408
tris(1-[3-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]phenyl]-N-methoxyethanimine);tris(1-[3-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]phenyl]-N-methoxyethanimine);tris(1-[3-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]phenyl]-N-methoxyethanimine);ethane
CID 161032931

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-dimethylpropoxy)phenyl]-N-methoxyethanimine?
The IUPAC name of 1-[3-(2,2-dimethylpropoxy)phenyl]-N-methoxyethanimine (CID 72592560) is 1-[3-(2,2-dimethylpropoxy)phenyl]-N-methoxyethanimine.
What is the SMILES notation for 1-[3-(2,2-dimethylpropoxy)phenyl]-N-methoxyethanimine?
The canonical SMILES for 1-[3-(2,2-dimethylpropoxy)phenyl]-N-methoxyethanimine is CON=C(C)c1cccc(OCC(C)(C)C)c1.
What is the InChIKey of 1-[3-(2,2-dimethylpropoxy)phenyl]-N-methoxyethanimine?
The InChIKey is UWSMJOFDCUDRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(15-16-5)12-7-6-8-13(9-12)17-10-14(2,3)4/h6-9H,10H2,1-5H3.
What are the key properties of 1-[3-(2,2-dimethylpropoxy)phenyl]-N-methoxyethanimine?
1-[3-(2,2-dimethylpropoxy)phenyl]-N-methoxyethanimine has a molecular weight of 235.33 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-dimethylpropoxy)phenyl]-N-methoxyethanimine is sourced from PubChem (CID 72592560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).