2-(3-bromophenyl)ethanimidamide

C8H9BrN2 — CID 24694721

IUPAC2-(3-bromophenyl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cccc(Br)c1
InChIInChI=1S/C8H9BrN2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H3,10,11)
InChIKeyDYEFWNZFPCPHSM-UHFFFAOYSA-N
MW213.08 g/mol
LogP1.93
Rot. Bonds2

About 2-(3-bromophenyl)ethanimidamide

2-(3-bromophenyl)ethanimidamide (PubChem CID 24694721) has the molecular formula C8H9BrN2 and a molecular weight of 213.08 g/mol. Its IUPAC name is 2-(3-bromophenyl)ethanimidamide.

Molecular Properties

Compound Name2-(3-bromophenyl)ethanimidamide
PubChem CID24694721
Molecular FormulaC8H9BrN2
Molecular Weight213.08 g/mol
Exact Mass211.99
IUPAC Name2-(3-bromophenyl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cccc(Br)c1
InChIInChI=1S/C8H9BrN2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H3,10,11)
InChIKeyDYEFWNZFPCPHSM-UHFFFAOYSA-N
XLogP1.93
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.08
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)ethanimidamide?
The IUPAC name of 2-(3-bromophenyl)ethanimidamide (CID 24694721) is 2-(3-bromophenyl)ethanimidamide.
What is the SMILES notation for 2-(3-bromophenyl)ethanimidamide?
The canonical SMILES for 2-(3-bromophenyl)ethanimidamide is [H]/N=C(\N)Cc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)ethanimidamide?
The InChIKey is DYEFWNZFPCPHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H3,10,11).
What are the key properties of 2-(3-bromophenyl)ethanimidamide?
2-(3-bromophenyl)ethanimidamide has a molecular weight of 213.08 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)ethanimidamide is sourced from PubChem (CID 24694721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).