3-amino-2-ethyl-1-[(3-fluorophenyl)methyl]-1-methylguanidine

C11H17FN4 — CID 116513040

IUPAC3-amino-2-ethyl-1-[(3-fluorophenyl)methyl]-1-methylguanidine
SMILESCC/N=C(\NN)N(C)Cc1cccc(F)c1
InChIInChI=1S/C11H17FN4/c1-3-14-11(15-13)16(2)8-9-5-4-6-10(12)7-9/h4-7H,3,8,13H2,1-2H3,(H,14,15)
InChIKeySXTVOSOQFJMVAL-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.10
Rot. Bonds3

About 3-amino-2-ethyl-1-[(3-fluorophenyl)methyl]-1-methylguanidine

3-amino-2-ethyl-1-[(3-fluorophenyl)methyl]-1-methylguanidine (PubChem CID 116513040) has the molecular formula C11H17FN4 and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-amino-2-ethyl-1-[(3-fluorophenyl)methyl]-1-methylguanidine.

Molecular Properties

Compound Name3-amino-2-ethyl-1-[(3-fluorophenyl)methyl]-1-methylguanidine
PubChem CID116513040
Molecular FormulaC11H17FN4
Molecular Weight224.28 g/mol
Exact Mass224.14
IUPAC Name3-amino-2-ethyl-1-[(3-fluorophenyl)methyl]-1-methylguanidine
SMILESCC/N=C(\NN)N(C)Cc1cccc(F)c1
InChIInChI=1S/C11H17FN4/c1-3-14-11(15-13)16(2)8-9-5-4-6-10(12)7-9/h4-7H,3,8,13H2,1-2H3,(H,14,15)
InChIKeySXTVOSOQFJMVAL-UHFFFAOYSA-N
XLogP1.10
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.10
H-Bond Donors ≤ 52
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'}

Analyze 3-amino-2-ethyl-1-[(3-fluorophenyl)methyl]-1-methylguanidine with MolForge

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

Launch Full Analysis

Related Compounds

3-amino-2-(3-ethoxypropyl)-1-[(3-fluorophenyl)methyl]-1-methylguanidine
CID 116513039
3-[2-(3-fluorophenyl)ethyl]-1-[(3-fluorophenyl)methyl]-1,2-dimethylguanidine
CID 111286469
3-ethyl-1-[(3-fluorophenyl)methyl]-1-methyl-2-prop-2-enylguanidine
CID 111285057
1-[(3-fluorophenyl)methyl]-1,2-dimethyl-3-pentylguanidine
CID 111285287
3-ethyl-1-[(3-fluorophenyl)methyl]-1-methyl-2-(2-methylpropyl)guanidine;hydroiodide
CID 111286076
3-ethyl-1-[(3-fluorophenyl)methyl]-1-methyl-2-prop-2-enylguanidine;hydroiodide
CID 111285056
ethyl 4-[[ethylamino-[(3-fluorophenyl)methyl-methylamino]methylidene]amino]butanoate
CID 111286057
3-ethyl-2-(2-ethylsulfonylethyl)-1-[(3-fluorophenyl)methyl]-1-methylguanidine
CID 111285941
1-[(3-fluorophenyl)methyl]-1,2-dimethyl-3-prop-2-enylguanidine
CID 111285531
ethyl 4-[[N-[(3-fluorophenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]butanoate;hydroiodide
CID 111285020
3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide
CID 28942552
2-amino-2-ethyl-N-[(3-fluorophenyl)methyl]-N-methylbutanamide
CID 79810018

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-ethyl-1-[(3-fluorophenyl)methyl]-1-methylguanidine?
The IUPAC name of 3-amino-2-ethyl-1-[(3-fluorophenyl)methyl]-1-methylguanidine (CID 116513040) is 3-amino-2-ethyl-1-[(3-fluorophenyl)methyl]-1-methylguanidine.
What is the SMILES notation for 3-amino-2-ethyl-1-[(3-fluorophenyl)methyl]-1-methylguanidine?
The canonical SMILES for 3-amino-2-ethyl-1-[(3-fluorophenyl)methyl]-1-methylguanidine is CC/N=C(\NN)N(C)Cc1cccc(F)c1.
What is the InChIKey of 3-amino-2-ethyl-1-[(3-fluorophenyl)methyl]-1-methylguanidine?
The InChIKey is SXTVOSOQFJMVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4/c1-3-14-11(15-13)16(2)8-9-5-4-6-10(12)7-9/h4-7H,3,8,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-2-ethyl-1-[(3-fluorophenyl)methyl]-1-methylguanidine?
3-amino-2-ethyl-1-[(3-fluorophenyl)methyl]-1-methylguanidine has a molecular weight of 224.28 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-ethyl-1-[(3-fluorophenyl)methyl]-1-methylguanidine is sourced from PubChem (CID 116513040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).