2-[4-[ethyl(methyl)amino]phenyl]guanidine

C10H16N4 — CID 25209673

IUPAC2-[4-[ethyl(methyl)amino]phenyl]guanidine
SMILESCCN(C)c1ccc(N=C(N)N)cc1
InChIInChI=1S/C10H16N4/c1-3-14(2)9-6-4-8(5-7-9)13-10(11)12/h4-7H,3H2,1-2H3,(H4,11,12,13)
InChIKeyMJKSAPIVKSBVQZ-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.05
Rot. Bonds3

About 2-[4-[ethyl(methyl)amino]phenyl]guanidine

2-[4-[ethyl(methyl)amino]phenyl]guanidine (PubChem CID 25209673) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 2-[4-[ethyl(methyl)amino]phenyl]guanidine.

Molecular Properties

Compound Name2-[4-[ethyl(methyl)amino]phenyl]guanidine
PubChem CID25209673
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name2-[4-[ethyl(methyl)amino]phenyl]guanidine
SMILESCCN(C)c1ccc(N=C(N)N)cc1
InChIInChI=1S/C10H16N4/c1-3-14(2)9-6-4-8(5-7-9)13-10(11)12/h4-7H,3H2,1-2H3,(H4,11,12,13)
InChIKeyMJKSAPIVKSBVQZ-UHFFFAOYSA-N
XLogP1.05
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[4-[ethyl(methyl)amino]phenyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[ethyl(methyl)amino]phenyl]guanidine?
The IUPAC name of 2-[4-[ethyl(methyl)amino]phenyl]guanidine (CID 25209673) is 2-[4-[ethyl(methyl)amino]phenyl]guanidine.
What is the SMILES notation for 2-[4-[ethyl(methyl)amino]phenyl]guanidine?
The canonical SMILES for 2-[4-[ethyl(methyl)amino]phenyl]guanidine is CCN(C)c1ccc(N=C(N)N)cc1.
What is the InChIKey of 2-[4-[ethyl(methyl)amino]phenyl]guanidine?
The InChIKey is MJKSAPIVKSBVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-3-14(2)9-6-4-8(5-7-9)13-10(11)12/h4-7H,3H2,1-2H3,(H4,11,12,13).
What are the key properties of 2-[4-[ethyl(methyl)amino]phenyl]guanidine?
2-[4-[ethyl(methyl)amino]phenyl]guanidine has a molecular weight of 192.27 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[ethyl(methyl)amino]phenyl]guanidine is sourced from PubChem (CID 25209673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).