2-[2-(4-bromophenoxy)ethylamino]guanidine

C9H13BrN4O — CID 95475441

IUPAC2-[2-(4-bromophenoxy)ethylamino]guanidine
SMILESNC(N)=NNCCOc1ccc(Br)cc1
InChIInChI=1S/C9H13BrN4O/c10-7-1-3-8(4-2-7)15-6-5-13-14-9(11)12/h1-4,13H,5-6H2,(H4,11,12,14)
InChIKeyLHTIGFJSQZMZBE-UHFFFAOYSA-N
MW273.13 g/mol
LogP0.61
Rot. Bonds5

About 2-[2-(4-bromophenoxy)ethylamino]guanidine

2-[2-(4-bromophenoxy)ethylamino]guanidine (PubChem CID 95475441) has the molecular formula C9H13BrN4O and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-[2-(4-bromophenoxy)ethylamino]guanidine.

Molecular Properties

Compound Name2-[2-(4-bromophenoxy)ethylamino]guanidine
PubChem CID95475441
Molecular FormulaC9H13BrN4O
Molecular Weight273.13 g/mol
Exact Mass272.03
IUPAC Name2-[2-(4-bromophenoxy)ethylamino]guanidine
SMILESNC(N)=NNCCOc1ccc(Br)cc1
InChIInChI=1S/C9H13BrN4O/c10-7-1-3-8(4-2-7)15-6-5-13-14-9(11)12/h1-4,13H,5-6H2,(H4,11,12,14)
InChIKeyLHTIGFJSQZMZBE-UHFFFAOYSA-N
XLogP0.61
TPSA85.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

2-[2-(4-bromophenoxy)ethylamino]oxyacetamide
CID 112674010
4-[2-(4-bromoanilino)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 77026728
4-(4-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062663
2-[2-(4-bromophenoxy)ethylamino]acetic acid
CID 43466024
2-[2-(4-bromophenoxy)ethyl]-1-propan-2-ylguanidine
CID 111088989
N-[2-(4-bromophenoxy)ethyl]-3-methylpentan-3-amine
CID 106328670
1-[2-(4-bromophenoxy)ethyl]-3-(2-ethoxyethyl)-2-methylguanidine
CID 111894661
3-[2-(4-bromophenoxy)ethylamino]-2,2-dimethylpropan-1-ol
CID 113293890
2-(4-bromophenoxy)ethylboronic acid
CID 63701460
N-[2-(4-bromophenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 62572745
N-[2-[4-(4-bromophenyl)phenoxy]ethyl]prop-2-en-1-amine
CID 63516544
N-[3-(4-bromophenoxy)propyl]-2-methylpropan-1-amine
CID 62455102

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenoxy)ethylamino]guanidine?
The IUPAC name of 2-[2-(4-bromophenoxy)ethylamino]guanidine (CID 95475441) is 2-[2-(4-bromophenoxy)ethylamino]guanidine.
What is the SMILES notation for 2-[2-(4-bromophenoxy)ethylamino]guanidine?
The canonical SMILES for 2-[2-(4-bromophenoxy)ethylamino]guanidine is NC(N)=NNCCOc1ccc(Br)cc1.
What is the InChIKey of 2-[2-(4-bromophenoxy)ethylamino]guanidine?
The InChIKey is LHTIGFJSQZMZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O/c10-7-1-3-8(4-2-7)15-6-5-13-14-9(11)12/h1-4,13H,5-6H2,(H4,11,12,14).
What are the key properties of 2-[2-(4-bromophenoxy)ethylamino]guanidine?
2-[2-(4-bromophenoxy)ethylamino]guanidine has a molecular weight of 273.13 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenoxy)ethylamino]guanidine is sourced from PubChem (CID 95475441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).