N-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide

C14H20BrN — CID 132938731

IUPACN-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide
SMILESC/C(Br)=N\c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C14H20BrN/c1-9(2)12-7-6-8-13(10(3)4)14(12)16-11(5)15/h6-10H,1-5H3/b16-11+
InChIKeyXYQLEIOCYHNQRU-LFIBNONCSA-N
MW282.23 g/mol
LogP5.38
Rot. Bonds3

About N-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide

N-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide (PubChem CID 132938731) has the molecular formula C14H20BrN and a molecular weight of 282.23 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide
PubChem CID132938731
Molecular FormulaC14H20BrN
Molecular Weight282.23 g/mol
Exact Mass281.08
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide
SMILESC/C(Br)=N\c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C14H20BrN/c1-9(2)12-7-6-8-13(10(3)4)14(12)16-11(5)15/h6-10H,1-5H3/b16-11+
InChIKeyXYQLEIOCYHNQRU-LFIBNONCSA-N
XLogP5.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.23
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;carbanide;nickel monohydride
CID 59870067
bis(2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine);(Z)-but-2-ene-2,3-diolate;nickel
CID 139170937
CID 102466319
CID 102466319
bis(dibromopalladium);3-N-[2,6-di(propan-2-yl)phenyl]-2-N-[4-[3-[2,6-di(propan-2-yl)phenyl]iminobutan-2-ylideneamino]-2,3,5,6-tetramethylphenyl]butane-2,3-diimine
CID 20750698
3-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]pentane-2,4-dione
CID 102209493
N-(2-methyl-6-propan-2-ylphenyl)propan-2-imine
CID 123174070
bis(2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine);nickel;toluene
CID 139138147
ethyl N-[2,6-di(propan-2-yl)phenyl]ethanimidate
CID 139084602
azane;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron
CID 16726514
3-N,5-N-bis[2,6-di(propan-2-yl)phenyl]-4-methylheptane-3,5-diimine
CID 126613596
[2,6-di(propan-2-yl)phenyl]iminotantalum
CID 10864957
2-N-(2,6-diethylphenyl)-3-N-[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;nickel
CID 87861081

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide (CID 132938731) is N-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide is C/C(Br)=N\c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide?
The InChIKey is XYQLEIOCYHNQRU-LFIBNONCSA-N. The full InChI is InChI=1S/C14H20BrN/c1-9(2)12-7-6-8-13(10(3)4)14(12)16-11(5)15/h6-10H,1-5H3/b16-11+.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide?
N-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide has a molecular weight of 282.23 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide is sourced from PubChem (CID 132938731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).