2-(4-bromophenyl)propanimidamide

C9H11BrN2 — CID 83673637

IUPAC2-(4-bromophenyl)propanimidamide
SMILES[H]/N=C(\N)C(C)c1ccc(Br)cc1
InChIInChI=1S/C9H11BrN2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H3,11,12)
InChIKeyZBURSZRAEDCQTL-UHFFFAOYSA-N
MW227.11 g/mol
LogP2.49
Rot. Bonds2

About 2-(4-bromophenyl)propanimidamide

2-(4-bromophenyl)propanimidamide (PubChem CID 83673637) has the molecular formula C9H11BrN2 and a molecular weight of 227.11 g/mol. Its IUPAC name is 2-(4-bromophenyl)propanimidamide.

Molecular Properties

Compound Name2-(4-bromophenyl)propanimidamide
PubChem CID83673637
Molecular FormulaC9H11BrN2
Molecular Weight227.11 g/mol
Exact Mass226.01
IUPAC Name2-(4-bromophenyl)propanimidamide
SMILES[H]/N=C(\N)C(C)c1ccc(Br)cc1
InChIInChI=1S/C9H11BrN2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H3,11,12)
InChIKeyZBURSZRAEDCQTL-UHFFFAOYSA-N
XLogP2.49
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.11
LogP ≤ 52.49
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-(4-bromophenyl)propanimidamide?
The IUPAC name of 2-(4-bromophenyl)propanimidamide (CID 83673637) is 2-(4-bromophenyl)propanimidamide.
What is the SMILES notation for 2-(4-bromophenyl)propanimidamide?
The canonical SMILES for 2-(4-bromophenyl)propanimidamide is [H]/N=C(\N)C(C)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)propanimidamide?
The InChIKey is ZBURSZRAEDCQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H3,11,12).
What are the key properties of 2-(4-bromophenyl)propanimidamide?
2-(4-bromophenyl)propanimidamide has a molecular weight of 227.11 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)propanimidamide is sourced from PubChem (CID 83673637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).