1-cyclopropyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine

C14H20FN3 — CID 110989245

IUPAC1-cyclopropyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine
SMILESCCN/C(=N\CCc1cccc(F)c1)NC1CC1
InChIInChI=1S/C14H20FN3/c1-2-16-14(18-13-6-7-13)17-9-8-11-4-3-5-12(15)10-11/h3-5,10,13H,2,6-9H2,1H3,(H2,16,17,18)
InChIKeyPBXMVNFPUJFLBC-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.09
Rot. Bonds5

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

1-cyclopropyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine (PubChem CID 110989245) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-cyclopropyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine
PubChem CID110989245
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name1-cyclopropyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine
SMILESCCN/C(=N\CCc1cccc(F)c1)NC1CC1
InChIInChI=1S/C14H20FN3/c1-2-16-14(18-13-6-7-13)17-9-8-11-4-3-5-12(15)10-11/h3-5,10,13H,2,6-9H2,1H3,(H2,16,17,18)
InChIKeyPBXMVNFPUJFLBC-UHFFFAOYSA-N
XLogP2.09
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.09
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

1-cyclopentyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 110992329
1-cyclopropyl-3-ethyl-2-[2-(3-hydroxyphenyl)ethyl]guanidine
CID 110988488
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 110987226
1-cyclopropyl-2-[2-(3,5-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide
CID 110988493
3-[2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111668685
3-[2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 75424046
1-cyclopropyl-2-[2-(2,4-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide
CID 111549026
1-ethyl-2-[(3-fluorophenyl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318039
3-[2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]-N-methylbenzamide
CID 111979205
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[(3-fluorophenyl)methyl]guanidine
CID 110987540
3-[2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111979444
N-cyclopentyl-3-[[ethylamino-[2-(3-fluorophenyl)ethylamino]methylidene]amino]propanamide
CID 111396207

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine?
The IUPAC name of 1-cyclopropyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine (CID 110989245) is 1-cyclopropyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine?
The canonical SMILES for 1-cyclopropyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine is CCN/C(=N\CCc1cccc(F)c1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine?
The InChIKey is PBXMVNFPUJFLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3/c1-2-16-14(18-13-6-7-13)17-9-8-11-4-3-5-12(15)10-11/h3-5,10,13H,2,6-9H2,1H3,(H2,16,17,18).
What are the key properties of 1-cyclopropyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine?
1-cyclopropyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine has a molecular weight of 249.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine is sourced from PubChem (CID 110989245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).