methyl 2-[2,6-di(propan-2-yl)phenyl]iminoacetate

C15H21NO2 — CID 59080028

IUPACmethyl 2-[2,6-di(propan-2-yl)phenyl]iminoacetate
SMILESCOC(=O)/C=N/c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C15H21NO2/c1-10(2)12-7-6-8-13(11(3)4)15(12)16-9-14(17)18-5/h6-11H,1-5H3/b16-9+
InChIKeyCSSPRPWVQSBWNG-CXUHLZMHSA-N
MW247.34 g/mol
LogP3.81
Rot. Bonds4

About methyl 2-[2,6-di(propan-2-yl)phenyl]iminoacetate

methyl 2-[2,6-di(propan-2-yl)phenyl]iminoacetate (PubChem CID 59080028) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl 2-[2,6-di(propan-2-yl)phenyl]iminoacetate.

Molecular Properties

Compound Namemethyl 2-[2,6-di(propan-2-yl)phenyl]iminoacetate
PubChem CID59080028
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl 2-[2,6-di(propan-2-yl)phenyl]iminoacetate
SMILESCOC(=O)/C=N/c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C15H21NO2/c1-10(2)12-7-6-8-13(11(3)4)15(12)16-9-14(17)18-5/h6-11H,1-5H3/b16-9+
InChIKeyCSSPRPWVQSBWNG-CXUHLZMHSA-N
XLogP3.81
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;cobalt
CID 69498606
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;carbanide;nickel
CID 21339154
N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]methanimine
CID 2755070
N-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]-2,6-di(propan-2-yl)aniline
CID 15909342
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dibromonickel
CID 21339155
carbanide;methyl 2-[2,6-di(propan-2-yl)phenyl]iminopropanoate;nickel;propane
CID 159826802
methyl (E)-4-oxo-4-(2-propan-2-ylanilino)but-2-enoate
CID 851932
ethane;methyl 2-methyl-6-propan-2-ylbenzoate
CID 144651677
(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-1-[(E)-2-methylbut-2-enyl]sulfanylprop-1-en-2-amine
CID 143293072
2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxyphenyl]phenol
CID 135431783
N-[2,6-di(propan-2-yl)phenyl]-1-(furan-2-yl)methanimine
CID 850160
CID 139115129
CID 139115129

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2,6-di(propan-2-yl)phenyl]iminoacetate?
The IUPAC name of methyl 2-[2,6-di(propan-2-yl)phenyl]iminoacetate (CID 59080028) is methyl 2-[2,6-di(propan-2-yl)phenyl]iminoacetate.
What is the SMILES notation for methyl 2-[2,6-di(propan-2-yl)phenyl]iminoacetate?
The canonical SMILES for methyl 2-[2,6-di(propan-2-yl)phenyl]iminoacetate is COC(=O)/C=N/c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of methyl 2-[2,6-di(propan-2-yl)phenyl]iminoacetate?
The InChIKey is CSSPRPWVQSBWNG-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10(2)12-7-6-8-13(11(3)4)15(12)16-9-14(17)18-5/h6-11H,1-5H3/b16-9+.
What are the key properties of methyl 2-[2,6-di(propan-2-yl)phenyl]iminoacetate?
methyl 2-[2,6-di(propan-2-yl)phenyl]iminoacetate has a molecular weight of 247.34 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2,6-di(propan-2-yl)phenyl]iminoacetate is sourced from PubChem (CID 59080028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).