(E)-1-(3-tert-butylphenyl)-N-ethoxyethanimine

C14H21NO — CID 20782602

IUPAC(E)-1-(3-tert-butylphenyl)-N-ethoxyethanimine
SMILESCCO/N=C(\C)c1cccc(C(C)(C)C)c1
InChIInChI=1S/C14H21NO/c1-6-16-15-11(2)12-8-7-9-13(10-12)14(3,4)5/h7-10H,6H2,1-5H3/b15-11+
InChIKeyKBEVVVHMKJEBNI-RVDMUPIBSA-N
MW219.33 g/mol
LogP3.74
Rot. Bonds3

About (E)-1-(3-tert-butylphenyl)-N-ethoxyethanimine

(E)-1-(3-tert-butylphenyl)-N-ethoxyethanimine (PubChem CID 20782602) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (E)-1-(3-tert-butylphenyl)-N-ethoxyethanimine.

Molecular Properties

Compound Name(E)-1-(3-tert-butylphenyl)-N-ethoxyethanimine
PubChem CID20782602
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(E)-1-(3-tert-butylphenyl)-N-ethoxyethanimine
SMILESCCO/N=C(\C)c1cccc(C(C)(C)C)c1
InChIInChI=1S/C14H21NO/c1-6-16-15-11(2)12-8-7-9-13(10-12)14(3,4)5/h7-10H,6H2,1-5H3/b15-11+
InChIKeyKBEVVVHMKJEBNI-RVDMUPIBSA-N
XLogP3.74
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.74
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

(E)-N-ethoxy-1-(3-propan-2-ylphenyl)ethanimine
CID 23568826
4-(N-ethoxy-C-methylcarbonimidoyl)benzene-1,2-diol
CID 137214322
4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-2-methylphenol
CID 136994688
[2-[(E)-N-ethoxy-C-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxycarbonimidoyl]phenyl] acetate
CID 172973317
methyl (2E)-2-[2-[[(E)-1-(3-tert-butylphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate
CID 157024249
2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]benzonitrile
CID 165365622
(Z)-N-ethoxy-1-(4-methoxyphenyl)ethanimine
CID 142977776
(E)-N-(2,2-dimethylpropoxy)-1-phenylethanimine
CID 88980385
(E)-1-(3-ethylphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 22968889
methyl 2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate
CID 85447593
2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetonitrile
CID 85447592
(E)-N-[(2,6-dichlorophenyl)methoxy]-1-(3-ethylphenyl)ethanimine
CID 22968924

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-tert-butylphenyl)-N-ethoxyethanimine?
The IUPAC name of (E)-1-(3-tert-butylphenyl)-N-ethoxyethanimine (CID 20782602) is (E)-1-(3-tert-butylphenyl)-N-ethoxyethanimine.
What is the SMILES notation for (E)-1-(3-tert-butylphenyl)-N-ethoxyethanimine?
The canonical SMILES for (E)-1-(3-tert-butylphenyl)-N-ethoxyethanimine is CCO/N=C(\C)c1cccc(C(C)(C)C)c1.
What is the InChIKey of (E)-1-(3-tert-butylphenyl)-N-ethoxyethanimine?
The InChIKey is KBEVVVHMKJEBNI-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H21NO/c1-6-16-15-11(2)12-8-7-9-13(10-12)14(3,4)5/h7-10H,6H2,1-5H3/b15-11+.
What are the key properties of (E)-1-(3-tert-butylphenyl)-N-ethoxyethanimine?
(E)-1-(3-tert-butylphenyl)-N-ethoxyethanimine has a molecular weight of 219.33 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-tert-butylphenyl)-N-ethoxyethanimine is sourced from PubChem (CID 20782602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).