1-amino-2-[(5-bromo-2-fluorophenyl)methyl]guanidine

C8H10BrFN4 — CID 64866451

IUPAC1-amino-2-[(5-bromo-2-fluorophenyl)methyl]guanidine
SMILESNN/C(N)=N/Cc1cc(Br)ccc1F
InChIInChI=1S/C8H10BrFN4/c9-6-1-2-7(10)5(3-6)4-13-8(11)14-12/h1-3H,4,12H2,(H3,11,13,14)
InChIKeyPPBXFQVFBLXYOY-UHFFFAOYSA-N
MW261.10 g/mol
LogP0.87
Rot. Bonds2

About 1-amino-2-[(5-bromo-2-fluorophenyl)methyl]guanidine

1-amino-2-[(5-bromo-2-fluorophenyl)methyl]guanidine (PubChem CID 64866451) has the molecular formula C8H10BrFN4 and a molecular weight of 261.10 g/mol. Its IUPAC name is 1-amino-2-[(5-bromo-2-fluorophenyl)methyl]guanidine.

Molecular Properties

Compound Name1-amino-2-[(5-bromo-2-fluorophenyl)methyl]guanidine
PubChem CID64866451
Molecular FormulaC8H10BrFN4
Molecular Weight261.10 g/mol
Exact Mass260.01
IUPAC Name1-amino-2-[(5-bromo-2-fluorophenyl)methyl]guanidine
SMILESNN/C(N)=N/Cc1cc(Br)ccc1F
InChIInChI=1S/C8H10BrFN4/c9-6-1-2-7(10)5(3-6)4-13-8(11)14-12/h1-3H,4,12H2,(H3,11,13,14)
InChIKeyPPBXFQVFBLXYOY-UHFFFAOYSA-N
XLogP0.87
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.10
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

2-[(5-bromo-2-fluorophenyl)methyl]-1-tert-butylguanidine
CID 55064147
2-[(5-bromo-2-fluorophenyl)methyl]-1-phenylguanidine
CID 62370051
2-[(5-bromo-2-fluorophenyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 111064556
2-[(5-bromo-2-fluorophenyl)methyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111064566
N'-[(5-bromo-2-fluorophenyl)methyl]pyrrolidine-1-carboximidamide
CID 75493910
2-(5-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide
CID 57364800
2-[(5-bromo-2-fluorophenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111064562
N'-[(5-bromo-2-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide
CID 110919760
1-amino-3-[(5-bromo-2-fluorophenyl)methyl]urea
CID 115192697
2-[(5-bromo-2-fluorophenyl)methyl]-1-ethyl-3-prop-2-ynylguanidine
CID 111850360
1-[2-(5-bromo-2-fluorophenyl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111077808
1-(5-bromo-2-fluorophenyl)-N-(hydrazinylmethyl)methanamine
CID 115260847

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[(5-bromo-2-fluorophenyl)methyl]guanidine?
The IUPAC name of 1-amino-2-[(5-bromo-2-fluorophenyl)methyl]guanidine (CID 64866451) is 1-amino-2-[(5-bromo-2-fluorophenyl)methyl]guanidine.
What is the SMILES notation for 1-amino-2-[(5-bromo-2-fluorophenyl)methyl]guanidine?
The canonical SMILES for 1-amino-2-[(5-bromo-2-fluorophenyl)methyl]guanidine is NN/C(N)=N/Cc1cc(Br)ccc1F.
What is the InChIKey of 1-amino-2-[(5-bromo-2-fluorophenyl)methyl]guanidine?
The InChIKey is PPBXFQVFBLXYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrFN4/c9-6-1-2-7(10)5(3-6)4-13-8(11)14-12/h1-3H,4,12H2,(H3,11,13,14).
What are the key properties of 1-amino-2-[(5-bromo-2-fluorophenyl)methyl]guanidine?
1-amino-2-[(5-bromo-2-fluorophenyl)methyl]guanidine has a molecular weight of 261.10 g/mol, XLogP of 0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[(5-bromo-2-fluorophenyl)methyl]guanidine is sourced from PubChem (CID 64866451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).