(E)-N-(2,2-dimethylpropoxy)-1-phenylethanimine

C13H19NO — CID 88980385

IUPAC(E)-N-(2,2-dimethylpropoxy)-1-phenylethanimine
SMILESC/C(=N\OCC(C)(C)C)c1ccccc1
InChIInChI=1S/C13H19NO/c1-11(12-8-6-5-7-9-12)14-15-10-13(2,3)4/h5-9H,10H2,1-4H3/b14-11+
InChIKeyNJSHTWBWOUHVOT-SDNWHVSQSA-N
MW205.30 g/mol
LogP3.47
Rot. Bonds3

About (E)-N-(2,2-dimethylpropoxy)-1-phenylethanimine

(E)-N-(2,2-dimethylpropoxy)-1-phenylethanimine (PubChem CID 88980385) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (E)-N-(2,2-dimethylpropoxy)-1-phenylethanimine.

Molecular Properties

Compound Name(E)-N-(2,2-dimethylpropoxy)-1-phenylethanimine
PubChem CID88980385
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(E)-N-(2,2-dimethylpropoxy)-1-phenylethanimine
SMILESC/C(=N\OCC(C)(C)C)c1ccccc1
InChIInChI=1S/C13H19NO/c1-11(12-8-6-5-7-9-12)14-15-10-13(2,3)4/h5-9H,10H2,1-4H3/b14-11+
InChIKeyNJSHTWBWOUHVOT-SDNWHVSQSA-N
XLogP3.47
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.47
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

1-phenyl-N-(2,2,2-trifluoroethoxy)ethanimine
CID 173208454
(E)-1-phenyl-N-prop-2-ynoxyethanimine
CID 6113693
N,N-diethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine;hydrochloride
CID 117067867
N-ethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine
CID 10242092
(Z)-N-phenoxy-1-phenylethanimine
CID 42624945
1-[3-(2,2-dimethylpropoxy)phenyl]-N-methoxyethanimine
CID 72592560
[(E)-1-phenylethylideneamino] acetate
CID 5392489
(E)-1-phenyl-N-trimethylsilyloxyethanimine
CID 5352994
triethyl-[2-hydroxy-3-[(E)-1-phenylethylideneamino]oxypropyl]azanium
CID 10547331
2-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]oxyacetic acid
CID 58663104
(E)-1-(3-tert-butylphenyl)-N-ethoxyethanimine
CID 20782602
(E)-1-(4-bromophenyl)-N-phenylmethoxyethanimine
CID 71724198

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,2-dimethylpropoxy)-1-phenylethanimine?
The IUPAC name of (E)-N-(2,2-dimethylpropoxy)-1-phenylethanimine (CID 88980385) is (E)-N-(2,2-dimethylpropoxy)-1-phenylethanimine.
What is the SMILES notation for (E)-N-(2,2-dimethylpropoxy)-1-phenylethanimine?
The canonical SMILES for (E)-N-(2,2-dimethylpropoxy)-1-phenylethanimine is C/C(=N\OCC(C)(C)C)c1ccccc1.
What is the InChIKey of (E)-N-(2,2-dimethylpropoxy)-1-phenylethanimine?
The InChIKey is NJSHTWBWOUHVOT-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H19NO/c1-11(12-8-6-5-7-9-12)14-15-10-13(2,3)4/h5-9H,10H2,1-4H3/b14-11+.
What are the key properties of (E)-N-(2,2-dimethylpropoxy)-1-phenylethanimine?
(E)-N-(2,2-dimethylpropoxy)-1-phenylethanimine has a molecular weight of 205.30 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,2-dimethylpropoxy)-1-phenylethanimine is sourced from PubChem (CID 88980385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).