2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]guanidine

C13H18FN5 — CID 168591057

IUPAC2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]guanidine
SMILESCc1cc(N2CCCC2)c(F)cc1C=NN=C(N)N
InChIInChI=1S/C13H18FN5/c1-9-6-12(19-4-2-3-5-19)11(14)7-10(9)8-17-18-13(15)16/h6-8H,2-5H2,1H3,(H4,15,16,18)
InChIKeyQSWSCGZDWRMCRU-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.34
Rot. Bonds3

About 2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]guanidine

2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]guanidine (PubChem CID 168591057) has the molecular formula C13H18FN5 and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]guanidine
PubChem CID168591057
Molecular FormulaC13H18FN5
Molecular Weight263.32 g/mol
Exact Mass263.15
IUPAC Name2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]guanidine
SMILESCc1cc(N2CCCC2)c(F)cc1C=NN=C(N)N
InChIInChI=1S/C13H18FN5/c1-9-6-12(19-4-2-3-5-19)11(14)7-10(9)8-17-18-13(15)16/h6-8H,2-5H2,1H3,(H4,15,16,18)
InChIKeyQSWSCGZDWRMCRU-UHFFFAOYSA-N
XLogP1.34
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]hydroxylamine
CID 5031665
5-fluoro-2-methyl-4-pyrrolidin-1-ylbenzaldehyde
CID 974356
4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]phenol
CID 4654883
N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
CID 3313701
N-(4-chlorophenyl)-1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methanimine
CID 4589321
2-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]guanidine
CID 9057981
4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzoic acid
CID 4202846
2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574449
N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
CID 3899831
N-[(Z)-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 6154296
N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 4620646
2-(azepan-1-yl)-5-fluoro-4-methylaniline
CID 103589726

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]guanidine (CID 168591057) is 2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]guanidine is Cc1cc(N2CCCC2)c(F)cc1C=NN=C(N)N.
What is the InChIKey of 2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]guanidine?
The InChIKey is QSWSCGZDWRMCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN5/c1-9-6-12(19-4-2-3-5-19)11(14)7-10(9)8-17-18-13(15)16/h6-8H,2-5H2,1H3,(H4,15,16,18).
What are the key properties of 2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]guanidine?
2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]guanidine has a molecular weight of 263.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]guanidine is sourced from PubChem (CID 168591057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).