1-amino-2-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylguanidine

C12H19FN4 — CID 116512072

IUPAC1-amino-2-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylguanidine
SMILESCC(C)N/C(=N\CCc1ccccc1F)NN
InChIInChI=1S/C12H19FN4/c1-9(2)16-12(17-14)15-8-7-10-5-3-4-6-11(10)13/h3-6,9H,7-8,14H2,1-2H3,(H2,15,16,17)
InChIKeyKUOWOQWVUGVKOF-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.19
Rot. Bonds4

About 1-amino-2-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylguanidine

1-amino-2-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylguanidine (PubChem CID 116512072) has the molecular formula C12H19FN4 and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-amino-2-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylguanidine.

Molecular Properties

Compound Name1-amino-2-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylguanidine
PubChem CID116512072
Molecular FormulaC12H19FN4
Molecular Weight238.31 g/mol
Exact Mass238.16
IUPAC Name1-amino-2-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylguanidine
SMILESCC(C)N/C(=N\CCc1ccccc1F)NN
InChIInChI=1S/C12H19FN4/c1-9(2)16-12(17-14)15-8-7-10-5-3-4-6-11(10)13/h3-6,9H,7-8,14H2,1-2H3,(H2,15,16,17)
InChIKeyKUOWOQWVUGVKOF-UHFFFAOYSA-N
XLogP1.19
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.19
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-phenylethyl)-3-propan-2-ylguanidine
CID 116512281
1-amino-3-cyclohexyl-2-[2-(2-fluorophenyl)ethyl]guanidine
CID 116512069
1-butan-2-yl-3-ethyl-2-[2-(2-fluorophenyl)ethyl]guanidine
CID 110945412
1-amino-3-[2-(2-fluorophenyl)ethyl]-2-(2-methoxyethyl)guanidine
CID 116512075
2-[2-(2-chlorophenyl)ethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111127093
1-amino-2-[2-(3-methoxyphenyl)ethyl]-3-propan-2-ylguanidine
CID 114009531
1-amino-2-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 116515866
1-amino-3-[1-(2-fluorophenyl)ethyl]-2-(2-methylpropyl)guanidine
CID 116513970
1-[2-(2-fluorophenyl)ethyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111002258
1-amino-3-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine
CID 116515754
1-[2-(2-fluorophenyl)ethyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine
CID 111266097
N-[2-[[N-ethyl-N'-[2-(2-fluorophenyl)ethyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111361242

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylguanidine?
The IUPAC name of 1-amino-2-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylguanidine (CID 116512072) is 1-amino-2-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylguanidine.
What is the SMILES notation for 1-amino-2-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylguanidine?
The canonical SMILES for 1-amino-2-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylguanidine is CC(C)N/C(=N\CCc1ccccc1F)NN.
What is the InChIKey of 1-amino-2-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylguanidine?
The InChIKey is KUOWOQWVUGVKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4/c1-9(2)16-12(17-14)15-8-7-10-5-3-4-6-11(10)13/h3-6,9H,7-8,14H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-amino-2-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylguanidine?
1-amino-2-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylguanidine has a molecular weight of 238.31 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylguanidine is sourced from PubChem (CID 116512072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).