1-butan-2-yl-3-ethyl-2-[2-(2-fluorophenyl)ethyl]guanidine

C15H24FN3 — CID 110945412

IUPAC1-butan-2-yl-3-ethyl-2-[2-(2-fluorophenyl)ethyl]guanidine
SMILESCCN/C(=N\CCc1ccccc1F)NC(C)CC
InChIInChI=1S/C15H24FN3/c1-4-12(3)19-15(17-5-2)18-11-10-13-8-6-7-9-14(13)16/h6-9,12H,4-5,10-11H2,1-3H3,(H2,17,18,19)
InChIKeyRTJRZMRHFSXSJB-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.72
Rot. Bonds6

About 1-butan-2-yl-3-ethyl-2-[2-(2-fluorophenyl)ethyl]guanidine

1-butan-2-yl-3-ethyl-2-[2-(2-fluorophenyl)ethyl]guanidine (PubChem CID 110945412) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-butan-2-yl-3-ethyl-2-[2-(2-fluorophenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-butan-2-yl-3-ethyl-2-[2-(2-fluorophenyl)ethyl]guanidine
PubChem CID110945412
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name1-butan-2-yl-3-ethyl-2-[2-(2-fluorophenyl)ethyl]guanidine
SMILESCCN/C(=N\CCc1ccccc1F)NC(C)CC
InChIInChI=1S/C15H24FN3/c1-4-12(3)19-15(17-5-2)18-11-10-13-8-6-7-9-14(13)16/h6-9,12H,4-5,10-11H2,1-3H3,(H2,17,18,19)
InChIKeyRTJRZMRHFSXSJB-UHFFFAOYSA-N
XLogP2.72
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[(butan-2-ylamino)-[2-(2-fluorophenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111545459
1-amino-2-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylguanidine
CID 116512072
2-[2-(2-chlorophenyl)ethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111127093
1-butan-2-yl-3-ethyl-2-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 110945407
1-butan-2-yl-3-ethyl-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine;hydroiodide
CID 110943049
N-[2-[[N-ethyl-N'-[2-(2-fluorophenyl)ethyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111361242
2-[2-(2,6-difluorophenyl)ethyl]-1-ethyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111000980
1-ethyl-2-[(2-fluorophenyl)methyl]-3-(1-phenylethyl)guanidine
CID 110949054
N-[2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]ethyl]-2-hydroxybenzamide
CID 110946152
1-butan-2-yl-3-ethyl-2-[4-(4-fluorophenoxy)butyl]guanidine
CID 110944780
1-butan-2-yl-3-ethyl-2-[3-(4-fluorophenoxy)propyl]guanidine;hydroiodide
CID 110943993
1-butan-2-yl-3-ethyl-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine
CID 110945494

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-ethyl-2-[2-(2-fluorophenyl)ethyl]guanidine?
The IUPAC name of 1-butan-2-yl-3-ethyl-2-[2-(2-fluorophenyl)ethyl]guanidine (CID 110945412) is 1-butan-2-yl-3-ethyl-2-[2-(2-fluorophenyl)ethyl]guanidine.
What is the SMILES notation for 1-butan-2-yl-3-ethyl-2-[2-(2-fluorophenyl)ethyl]guanidine?
The canonical SMILES for 1-butan-2-yl-3-ethyl-2-[2-(2-fluorophenyl)ethyl]guanidine is CCN/C(=N\CCc1ccccc1F)NC(C)CC.
What is the InChIKey of 1-butan-2-yl-3-ethyl-2-[2-(2-fluorophenyl)ethyl]guanidine?
The InChIKey is RTJRZMRHFSXSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-4-12(3)19-15(17-5-2)18-11-10-13-8-6-7-9-14(13)16/h6-9,12H,4-5,10-11H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-butan-2-yl-3-ethyl-2-[2-(2-fluorophenyl)ethyl]guanidine?
1-butan-2-yl-3-ethyl-2-[2-(2-fluorophenyl)ethyl]guanidine has a molecular weight of 265.38 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-ethyl-2-[2-(2-fluorophenyl)ethyl]guanidine is sourced from PubChem (CID 110945412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).