N'-[4-(methylaminomethyl)phenyl]ethanimidamide;dihydrobromide

C10H17Br2N3 — CID 45264819

IUPACN'-[4-(methylaminomethyl)phenyl]ethanimidamide;dihydrobromide
SMILESBr.Br.CNCc1ccc(/N=C(\C)N)cc1
InChIInChI=1S/C10H15N3.2BrH/c1-8(11)13-10-5-3-9(4-6-10)7-12-2;;/h3-6,12H,7H2,1-2H3,(H2,11,13);2*1H
InChIKeyARVXEXLSTYBDRT-UHFFFAOYSA-N
MW339.08 g/mol
LogP2.57
Rot. Bonds3

About N'-[4-(methylaminomethyl)phenyl]ethanimidamide;dihydrobromide

N'-[4-(methylaminomethyl)phenyl]ethanimidamide;dihydrobromide (PubChem CID 45264819) has the molecular formula C10H17Br2N3 and a molecular weight of 339.08 g/mol. Its IUPAC name is N'-[4-(methylaminomethyl)phenyl]ethanimidamide;dihydrobromide.

Molecular Properties

Compound NameN'-[4-(methylaminomethyl)phenyl]ethanimidamide;dihydrobromide
PubChem CID45264819
Molecular FormulaC10H17Br2N3
Molecular Weight339.08 g/mol
Exact Mass336.98
IUPAC NameN'-[4-(methylaminomethyl)phenyl]ethanimidamide;dihydrobromide
SMILESBr.Br.CNCc1ccc(/N=C(\C)N)cc1
InChIInChI=1S/C10H15N3.2BrH/c1-8(11)13-10-5-3-9(4-6-10)7-12-2;;/h3-6,12H,7H2,1-2H3,(H2,11,13);2*1H
InChIKeyARVXEXLSTYBDRT-UHFFFAOYSA-N
XLogP2.57
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.08
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[4-(methylaminomethyl)phenyl]ethanimidamide;dihydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[4-(methylaminomethyl)phenyl]ethanimidamide;dihydrobromide?
The IUPAC name of N'-[4-(methylaminomethyl)phenyl]ethanimidamide;dihydrobromide (CID 45264819) is N'-[4-(methylaminomethyl)phenyl]ethanimidamide;dihydrobromide.
What is the SMILES notation for N'-[4-(methylaminomethyl)phenyl]ethanimidamide;dihydrobromide?
The canonical SMILES for N'-[4-(methylaminomethyl)phenyl]ethanimidamide;dihydrobromide is Br.Br.CNCc1ccc(/N=C(\C)N)cc1.
What is the InChIKey of N'-[4-(methylaminomethyl)phenyl]ethanimidamide;dihydrobromide?
The InChIKey is ARVXEXLSTYBDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3.2BrH/c1-8(11)13-10-5-3-9(4-6-10)7-12-2;;/h3-6,12H,7H2,1-2H3,(H2,11,13);2*1H.
What are the key properties of N'-[4-(methylaminomethyl)phenyl]ethanimidamide;dihydrobromide?
N'-[4-(methylaminomethyl)phenyl]ethanimidamide;dihydrobromide has a molecular weight of 339.08 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(methylaminomethyl)phenyl]ethanimidamide;dihydrobromide is sourced from PubChem (CID 45264819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).