2-[(2-bromophenyl)methyl]guanidine

C8H10BrN3 — CID 19798

IUPAC2-[(2-bromophenyl)methyl]guanidine
SMILESNC(N)=NCc1ccccc1Br
InChIInChI=1S/C8H10BrN3/c9-7-4-2-1-3-6(7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12)
InChIKeyVEWFHMVVHGDNPE-UHFFFAOYSA-N
MW228.09 g/mol
LogP1.22
Rot. Bonds2

About 2-[(2-bromophenyl)methyl]guanidine

2-[(2-bromophenyl)methyl]guanidine (PubChem CID 19798) has the molecular formula C8H10BrN3 and a molecular weight of 228.09 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]guanidine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]guanidine
PubChem CID19798
Molecular FormulaC8H10BrN3
Molecular Weight228.09 g/mol
Exact Mass227.01
IUPAC Name2-[(2-bromophenyl)methyl]guanidine
SMILESNC(N)=NCc1ccccc1Br
InChIInChI=1S/C8H10BrN3/c9-7-4-2-1-3-6(7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12)
InChIKeyVEWFHMVVHGDNPE-UHFFFAOYSA-N
XLogP1.22
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 51.22
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-[(2-bromophenyl)methyl]guanidine?
The IUPAC name of 2-[(2-bromophenyl)methyl]guanidine (CID 19798) is 2-[(2-bromophenyl)methyl]guanidine.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]guanidine?
The canonical SMILES for 2-[(2-bromophenyl)methyl]guanidine is NC(N)=NCc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl]guanidine?
The InChIKey is VEWFHMVVHGDNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3/c9-7-4-2-1-3-6(7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12).
What are the key properties of 2-[(2-bromophenyl)methyl]guanidine?
2-[(2-bromophenyl)methyl]guanidine has a molecular weight of 228.09 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]guanidine is sourced from PubChem (CID 19798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).