methyl 2-(3-tert-butylphenoxy)ethanimidate

C13H19NO2 — CID 95444504

IUPACmethyl 2-(3-tert-butylphenoxy)ethanimidate
SMILES[H]/N=C(/COc1cccc(C(C)(C)C)c1)OC
InChIInChI=1S/C13H19NO2/c1-13(2,3)10-6-5-7-11(8-10)16-9-12(14)15-4/h5-8,14H,9H2,1-4H3/b14-12-
InChIKeyNJPAWYQKOZPKRY-OWBHPGMISA-N
MW221.30 g/mol
LogP2.99
Rot. Bonds3

About methyl 2-(3-tert-butylphenoxy)ethanimidate

methyl 2-(3-tert-butylphenoxy)ethanimidate (PubChem CID 95444504) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is methyl 2-(3-tert-butylphenoxy)ethanimidate.

Molecular Properties

Compound Namemethyl 2-(3-tert-butylphenoxy)ethanimidate
PubChem CID95444504
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namemethyl 2-(3-tert-butylphenoxy)ethanimidate
SMILES[H]/N=C(/COc1cccc(C(C)(C)C)c1)OC
InChIInChI=1S/C13H19NO2/c1-13(2,3)10-6-5-7-11(8-10)16-9-12(14)15-4/h5-8,14H,9H2,1-4H3/b14-12-
InChIKeyNJPAWYQKOZPKRY-OWBHPGMISA-N
XLogP2.99
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(3-tert-butylphenoxy)propanimidamide
CID 43351835
N-tert-butyl-2-[(3-tert-butylphenoxy)methyl]prop-2-en-1-amine
CID 103066892
2-[(3-tert-butylphenoxy)methyl]benzenecarboximidamide
CID 43351837
2-(3-tert-butylphenoxy)-N-(2-methylpropyl)acetamide
CID 112977536
1-tert-butyl-3-(5-methoxypentoxy)benzene
CID 71001678
4-(3-tert-butylphenoxy)-2-methylbutan-2-ol
CID 79359889
methyl 3-(3-bromophenoxy)propanimidate
CID 95465484
methyl 2-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate
CID 112977644
methyl 3-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate
CID 112977645
2-(3-tert-butylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 112977639
2-(3-tert-butylphenoxy)-N-(2-ethylphenyl)acetamide
CID 112977620
4-[(3-tert-butylphenoxy)methyl]pyridine-2-carboximidamide
CID 63882454

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-tert-butylphenoxy)ethanimidate?
The IUPAC name of methyl 2-(3-tert-butylphenoxy)ethanimidate (CID 95444504) is methyl 2-(3-tert-butylphenoxy)ethanimidate.
What is the SMILES notation for methyl 2-(3-tert-butylphenoxy)ethanimidate?
The canonical SMILES for methyl 2-(3-tert-butylphenoxy)ethanimidate is [H]/N=C(/COc1cccc(C(C)(C)C)c1)OC.
What is the InChIKey of methyl 2-(3-tert-butylphenoxy)ethanimidate?
The InChIKey is NJPAWYQKOZPKRY-OWBHPGMISA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(2,3)10-6-5-7-11(8-10)16-9-12(14)15-4/h5-8,14H,9H2,1-4H3/b14-12-.
What are the key properties of methyl 2-(3-tert-butylphenoxy)ethanimidate?
methyl 2-(3-tert-butylphenoxy)ethanimidate has a molecular weight of 221.30 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-tert-butylphenoxy)ethanimidate is sourced from PubChem (CID 95444504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).