2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate

C14H20NO- — CID 18794193

IUPAC2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate
SMILES[H]/N=C(\[O-])Cc1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C14H21NO/c1-9-6-11(14(3,4)5)7-10(2)12(9)8-13(15)16/h6-7H,8H2,1-5H3,(H2,15,16)/p-1
InChIKeyLAYONLPJVOPBIW-UHFFFAOYSA-M
MW218.32 g/mol
LogP2.48
Rot. Bonds2

About 2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate

2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate (PubChem CID 18794193) has the molecular formula C14H20NO- and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate.

Molecular Properties

Compound Name2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate
PubChem CID18794193
Molecular FormulaC14H20NO-
Molecular Weight218.32 g/mol
Exact Mass218.16
IUPAC Name2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate
SMILES[H]/N=C(\[O-])Cc1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C14H21NO/c1-9-6-11(14(3,4)5)7-10(2)12(9)8-13(15)16/h6-7H,8H2,1-5H3,(H2,15,16)/p-1
InChIKeyLAYONLPJVOPBIW-UHFFFAOYSA-M
XLogP2.48
TPSA46.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1-(4-tert-butyl-2,6-dimethylphenyl)pent-4-en-2-one
CID 61380160
N,3-bis(4-tert-butyl-2,6-dimethylphenyl)-2-oxopropanamide
CID 158717021
1-(4-tert-butyl-2,6-dimethylphenyl)hept-5-yn-2-one
CID 104803053
1-(3-bromofuran-2-yl)-2-(4-tert-butyl-2,6-dimethylphenyl)ethanone
CID 63943797
2-(2,4,6-trimethylphenyl)ethanimidamide
CID 3660165
1-(4-tert-butyl-2,6-dimethylphenyl)butan-2-ol
CID 60798417
5-tert-butyl-2-[(4-tert-butyl-2-iodo-6-methylphenyl)methyl]-1-iodo-3-methylbenzene
CID 21043173
1,5-ditert-butyl-2-[3-(2,4-ditert-butyl-6-methylphenyl)propyl]-3-methylbenzene
CID 174153590
1-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]-2-methylpropan-2-ol
CID 96666593
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 60686630
1-(4-tert-butyl-2,6-dimethylphenyl)hex-5-yn-2-ol
CID 63657471
4-(4-tert-butyl-2,6-dimethylphenyl)butane-1-thiol
CID 95461659

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate?
The IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate (CID 18794193) is 2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate.
What is the SMILES notation for 2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate?
The canonical SMILES for 2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate is [H]/N=C(\[O-])Cc1c(C)cc(C(C)(C)C)cc1C.
What is the InChIKey of 2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate?
The InChIKey is LAYONLPJVOPBIW-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H21NO/c1-9-6-11(14(3,4)5)7-10(2)12(9)8-13(15)16/h6-7H,8H2,1-5H3,(H2,15,16)/p-1.
What are the key properties of 2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate?
2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate has a molecular weight of 218.32 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate is sourced from PubChem (CID 18794193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).