N-amino-2-(4-bromophenyl)-N'-(2-methoxyethyl)ethanimidamide

C11H16BrN3O — CID 62542669

IUPACN-amino-2-(4-bromophenyl)-N'-(2-methoxyethyl)ethanimidamide
SMILESCOCC/N=C(/Cc1ccc(Br)cc1)NN
InChIInChI=1S/C11H16BrN3O/c1-16-7-6-14-11(15-13)8-9-2-4-10(12)5-3-9/h2-5H,6-8,13H2,1H3,(H,14,15)
InChIKeyMXBURSBLLSJKIT-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.50
Rot. Bonds5

About N-amino-2-(4-bromophenyl)-N'-(2-methoxyethyl)ethanimidamide

N-amino-2-(4-bromophenyl)-N'-(2-methoxyethyl)ethanimidamide (PubChem CID 62542669) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is N-amino-2-(4-bromophenyl)-N'-(2-methoxyethyl)ethanimidamide.

Molecular Properties

Compound NameN-amino-2-(4-bromophenyl)-N'-(2-methoxyethyl)ethanimidamide
PubChem CID62542669
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC NameN-amino-2-(4-bromophenyl)-N'-(2-methoxyethyl)ethanimidamide
SMILESCOCC/N=C(/Cc1ccc(Br)cc1)NN
InChIInChI=1S/C11H16BrN3O/c1-16-7-6-14-11(15-13)8-9-2-4-10(12)5-3-9/h2-5H,6-8,13H2,1H3,(H,14,15)
InChIKeyMXBURSBLLSJKIT-UHFFFAOYSA-N
XLogP1.50
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-4-bromo-2-fluoro-N'-(2-methoxyethyl)benzenecarboximidamide
CID 62544317
N-amino-N'-(2-methoxyethyl)-3,3-dimethylbutanimidamide
CID 62543671
2-(4-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide
CID 63182134
4-bromo-N-[2-[[N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]benzamide
CID 138995545
[2-(4-bromophenyl)-1-methoxyethylidene]azanium chloride
CID 135905289
1-[(4-bromophenyl)methyl]-3-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine
CID 111292945
3-amino-1,1,2-tris(2-methoxyethyl)guanidine
CID 104885360
N-amino-2-methoxy-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide
CID 62543831
N-amino-2-chloro-N'-(2-methoxyethyl)benzenecarboximidamide
CID 62544326
1-amino-3-[1-(4-fluorophenyl)propan-2-yl]-2-(2-methoxyethyl)guanidine
CID 116515016
N-amino-N'-(2-methoxyethyl)-2,2-dimethylpropanimidamide
CID 62544152
5-(4-bromophenyl)furan-2-carbohydrazide
CID 4697634

Frequently Asked Questions

What is the IUPAC name of N-amino-2-(4-bromophenyl)-N'-(2-methoxyethyl)ethanimidamide?
The IUPAC name of N-amino-2-(4-bromophenyl)-N'-(2-methoxyethyl)ethanimidamide (CID 62542669) is N-amino-2-(4-bromophenyl)-N'-(2-methoxyethyl)ethanimidamide.
What is the SMILES notation for N-amino-2-(4-bromophenyl)-N'-(2-methoxyethyl)ethanimidamide?
The canonical SMILES for N-amino-2-(4-bromophenyl)-N'-(2-methoxyethyl)ethanimidamide is COCC/N=C(/Cc1ccc(Br)cc1)NN.
What is the InChIKey of N-amino-2-(4-bromophenyl)-N'-(2-methoxyethyl)ethanimidamide?
The InChIKey is MXBURSBLLSJKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-16-7-6-14-11(15-13)8-9-2-4-10(12)5-3-9/h2-5H,6-8,13H2,1H3,(H,14,15).
What are the key properties of N-amino-2-(4-bromophenyl)-N'-(2-methoxyethyl)ethanimidamide?
N-amino-2-(4-bromophenyl)-N'-(2-methoxyethyl)ethanimidamide has a molecular weight of 286.17 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2-(4-bromophenyl)-N'-(2-methoxyethyl)ethanimidamide is sourced from PubChem (CID 62542669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).