1-amino-3-(2-fluorophenyl)-2-(2-methylpropyl)guanidine

C11H17FN4 — CID 116512402

IUPAC1-amino-3-(2-fluorophenyl)-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\NN)Nc1ccccc1F
InChIInChI=1S/C11H17FN4/c1-8(2)7-14-11(16-13)15-10-6-4-3-5-9(10)12/h3-6,8H,7,13H2,1-2H3,(H2,14,15,16)
InChIKeyRCKVOGPTLBAONG-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.71
Rot. Bonds3

About 1-amino-3-(2-fluorophenyl)-2-(2-methylpropyl)guanidine

1-amino-3-(2-fluorophenyl)-2-(2-methylpropyl)guanidine (PubChem CID 116512402) has the molecular formula C11H17FN4 and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-amino-3-(2-fluorophenyl)-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(2-fluorophenyl)-2-(2-methylpropyl)guanidine
PubChem CID116512402
Molecular FormulaC11H17FN4
Molecular Weight224.28 g/mol
Exact Mass224.14
IUPAC Name1-amino-3-(2-fluorophenyl)-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\NN)Nc1ccccc1F
InChIInChI=1S/C11H17FN4/c1-8(2)7-14-11(16-13)15-10-6-4-3-5-9(10)12/h3-6,8H,7,13H2,1-2H3,(H2,14,15,16)
InChIKeyRCKVOGPTLBAONG-UHFFFAOYSA-N
XLogP1.71
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.71
H-Bond Donors ≤ 53
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'}

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Related Compounds

1-amino-2-(2-methylpropyl)-3-naphthalen-1-ylguanidine
CID 116511489
1-amino-3-(3,5-difluorophenyl)-2-(2-methylpropyl)guanidine
CID 116512523
1-amino-3-(2,3-difluorophenyl)-2-propan-2-ylguanidine
CID 116513741
1-amino-3-(2,6-difluorophenyl)-2-ethylguanidine
CID 116512729
1-amino-2-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)guanidine
CID 116515831
1-amino-2-(2-methylpropyl)-3-(4-methylsulfonylphenyl)guanidine
CID 116512240
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617
1-(2-fluoroanilino)-2,3-dimethylbutan-2-ol
CID 114492664
1-(2-fluoro-5-methylphenyl)-2-(2-methylpropyl)guanidine
CID 62378730
1-amino-3-[2-(difluoromethylsulfanyl)phenyl]-2-propylguanidine
CID 116511816
N-(2-fluorophenyl)-4-hydrazinyl-4-oxobutanamide
CID 91820804
2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
CID 75973817

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-fluorophenyl)-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-amino-3-(2-fluorophenyl)-2-(2-methylpropyl)guanidine (CID 116512402) is 1-amino-3-(2-fluorophenyl)-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-amino-3-(2-fluorophenyl)-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-amino-3-(2-fluorophenyl)-2-(2-methylpropyl)guanidine is CC(C)C/N=C(\NN)Nc1ccccc1F.
What is the InChIKey of 1-amino-3-(2-fluorophenyl)-2-(2-methylpropyl)guanidine?
The InChIKey is RCKVOGPTLBAONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4/c1-8(2)7-14-11(16-13)15-10-6-4-3-5-9(10)12/h3-6,8H,7,13H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-amino-3-(2-fluorophenyl)-2-(2-methylpropyl)guanidine?
1-amino-3-(2-fluorophenyl)-2-(2-methylpropyl)guanidine has a molecular weight of 224.28 g/mol, XLogP of 1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-fluorophenyl)-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 116512402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).