2-[4-(methylamino)phenyl]guanidine

C8H12N4 — CID 25209671

IUPAC2-[4-(methylamino)phenyl]guanidine
SMILESCNc1ccc(N=C(N)N)cc1
InChIInChI=1S/C8H12N4/c1-11-6-2-4-7(5-3-6)12-8(9)10/h2-5,11H,1H3,(H4,9,10,12)
InChIKeySYPINLPWMTYMEC-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.63
Rot. Bonds2

About 2-[4-(methylamino)phenyl]guanidine

2-[4-(methylamino)phenyl]guanidine (PubChem CID 25209671) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-[4-(methylamino)phenyl]guanidine.

Molecular Properties

Compound Name2-[4-(methylamino)phenyl]guanidine
PubChem CID25209671
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name2-[4-(methylamino)phenyl]guanidine
SMILESCNc1ccc(N=C(N)N)cc1
InChIInChI=1S/C8H12N4/c1-11-6-2-4-7(5-3-6)12-8(9)10/h2-5,11H,1H3,(H4,9,10,12)
InChIKeySYPINLPWMTYMEC-UHFFFAOYSA-N
XLogP0.63
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-[4-(methylamino)phenyl]guanidine?
The IUPAC name of 2-[4-(methylamino)phenyl]guanidine (CID 25209671) is 2-[4-(methylamino)phenyl]guanidine.
What is the SMILES notation for 2-[4-(methylamino)phenyl]guanidine?
The canonical SMILES for 2-[4-(methylamino)phenyl]guanidine is CNc1ccc(N=C(N)N)cc1.
What is the InChIKey of 2-[4-(methylamino)phenyl]guanidine?
The InChIKey is SYPINLPWMTYMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-11-6-2-4-7(5-3-6)12-8(9)10/h2-5,11H,1H3,(H4,9,10,12).
What are the key properties of 2-[4-(methylamino)phenyl]guanidine?
2-[4-(methylamino)phenyl]guanidine has a molecular weight of 164.21 g/mol, XLogP of 0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)phenyl]guanidine is sourced from PubChem (CID 25209671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).