(4-bromophenyl)methyl methanimidate

C8H8BrNO — CID 143507583

IUPAC(4-bromophenyl)methyl methanimidate
SMILES[H]/N=C/OCc1ccc(Br)cc1
InChIInChI=1S/C8H8BrNO/c9-8-3-1-7(2-4-8)5-11-6-10/h1-4,6,10H,5H2/b10-6+
InChIKeyHFWYXBSBLCUKGC-UXBLZVDNSA-N
MW214.06 g/mol
LogP2.57
Rot. Bonds3

About (4-bromophenyl)methyl methanimidate

(4-bromophenyl)methyl methanimidate (PubChem CID 143507583) has the molecular formula C8H8BrNO and a molecular weight of 214.06 g/mol. Its IUPAC name is (4-bromophenyl)methyl methanimidate.

Molecular Properties

Compound Name(4-bromophenyl)methyl methanimidate
PubChem CID143507583
Molecular FormulaC8H8BrNO
Molecular Weight214.06 g/mol
Exact Mass212.98
IUPAC Name(4-bromophenyl)methyl methanimidate
SMILES[H]/N=C/OCc1ccc(Br)cc1
InChIInChI=1S/C8H8BrNO/c9-8-3-1-7(2-4-8)5-11-6-10/h1-4,6,10H,5H2/b10-6+
InChIKeyHFWYXBSBLCUKGC-UXBLZVDNSA-N
XLogP2.57
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 52.57
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

benzyl methanimidate
CID 10176165
1-bromo-4-[[(2R,3R)-1,4-dibromo-3-[(4-bromophenyl)methoxy]butan-2-yl]oxymethyl]benzene
CID 132518009
1-bromo-4-[3-[(4-bromophenyl)methoxy]propoxymethyl]benzene
CID 101050292
(E)-4-[(4-bromophenyl)methoxy]-2,3,4,4-tetradeuteriobut-2-en-1-ol
CID 10083994
1-bromo-4-[2-[(4-bromophenyl)methoxy]propan-2-yloxymethyl]benzene
CID 154634128
1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240
(4-bromophenyl)methyl hydrogen carbonate
CID 21123816
(Z)-4-[(4-bromophenyl)methoxy]-2-methylbut-2-enoic acid
CID 82827868
1-bromo-4-(2,2-dibromopropoxymethyl)benzene
CID 67833437
bis[(4-bromophenyl)methyl] butanedioate
CID 91729053
(4-bromophenyl)methoxymethyl-trifluoroboranuide
CID 82826221
[(4-bromophenyl)-dideuteriomethyl]azanium
CID 140689905

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl methanimidate?
The IUPAC name of (4-bromophenyl)methyl methanimidate (CID 143507583) is (4-bromophenyl)methyl methanimidate.
What is the SMILES notation for (4-bromophenyl)methyl methanimidate?
The canonical SMILES for (4-bromophenyl)methyl methanimidate is [H]/N=C/OCc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)methyl methanimidate?
The InChIKey is HFWYXBSBLCUKGC-UXBLZVDNSA-N. The full InChI is InChI=1S/C8H8BrNO/c9-8-3-1-7(2-4-8)5-11-6-10/h1-4,6,10H,5H2/b10-6+.
What are the key properties of (4-bromophenyl)methyl methanimidate?
(4-bromophenyl)methyl methanimidate has a molecular weight of 214.06 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl methanimidate is sourced from PubChem (CID 143507583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).