2-[[2-(4-bromophenoxy)phenyl]methylideneamino]guanidine

C14H13BrN4O — CID 168591768

IUPAC2-[[2-(4-bromophenoxy)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccccc1Oc1ccc(Br)cc1
InChIInChI=1S/C14H13BrN4O/c15-11-5-7-12(8-6-11)20-13-4-2-1-3-10(13)9-18-19-14(16)17/h1-9H,(H4,16,17,19)
InChIKeySXTCMQYBBQHTFK-UHFFFAOYSA-N
MW333.19 g/mol
LogP2.85
Rot. Bonds4

About 2-[[2-(4-bromophenoxy)phenyl]methylideneamino]guanidine

2-[[2-(4-bromophenoxy)phenyl]methylideneamino]guanidine (PubChem CID 168591768) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is 2-[[2-(4-bromophenoxy)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[2-(4-bromophenoxy)phenyl]methylideneamino]guanidine
PubChem CID168591768
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC Name2-[[2-(4-bromophenoxy)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccccc1Oc1ccc(Br)cc1
InChIInChI=1S/C14H13BrN4O/c15-11-5-7-12(8-6-11)20-13-4-2-1-3-10(13)9-18-19-14(16)17/h1-9H,(H4,16,17,19)
InChIKeySXTCMQYBBQHTFK-UHFFFAOYSA-N
XLogP2.85
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromophenoxy)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[2-(4-bromophenoxy)phenyl]methylideneamino]guanidine (CID 168591768) is 2-[[2-(4-bromophenoxy)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[2-(4-bromophenoxy)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[2-(4-bromophenoxy)phenyl]methylideneamino]guanidine is NC(N)=NN=Cc1ccccc1Oc1ccc(Br)cc1.
What is the InChIKey of 2-[[2-(4-bromophenoxy)phenyl]methylideneamino]guanidine?
The InChIKey is SXTCMQYBBQHTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O/c15-11-5-7-12(8-6-11)20-13-4-2-1-3-10(13)9-18-19-14(16)17/h1-9H,(H4,16,17,19).
What are the key properties of 2-[[2-(4-bromophenoxy)phenyl]methylideneamino]guanidine?
2-[[2-(4-bromophenoxy)phenyl]methylideneamino]guanidine has a molecular weight of 333.19 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromophenoxy)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168591768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).