2-(4-aminobutyl)-1-(4-fluorophenyl)guanidine

C11H17FN4 — CID 45267902

IUPAC2-(4-aminobutyl)-1-(4-fluorophenyl)guanidine
SMILESNCCCC/N=C(\N)Nc1ccc(F)cc1
InChIInChI=1S/C11H17FN4/c12-9-3-5-10(6-4-9)16-11(14)15-8-2-1-7-13/h3-6H,1-2,7-8,13H2,(H3,14,15,16)
InChIKeyLEVHVNVUJZXDSH-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.29
Rot. Bonds5

About 2-(4-aminobutyl)-1-(4-fluorophenyl)guanidine

2-(4-aminobutyl)-1-(4-fluorophenyl)guanidine (PubChem CID 45267902) has the molecular formula C11H17FN4 and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-(4-aminobutyl)-1-(4-fluorophenyl)guanidine.

Molecular Properties

Compound Name2-(4-aminobutyl)-1-(4-fluorophenyl)guanidine
PubChem CID45267902
Molecular FormulaC11H17FN4
Molecular Weight224.28 g/mol
Exact Mass224.14
IUPAC Name2-(4-aminobutyl)-1-(4-fluorophenyl)guanidine
SMILESNCCCC/N=C(\N)Nc1ccc(F)cc1
InChIInChI=1S/C11H17FN4/c12-9-3-5-10(6-4-9)16-11(14)15-8-2-1-7-13/h3-6H,1-2,7-8,13H2,(H3,14,15,16)
InChIKeyLEVHVNVUJZXDSH-UHFFFAOYSA-N
XLogP1.29
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diphenylguanidine
CID 7594
1,2,3-Triphenylguanidine
CID 7539
N,N'-Diphenylformamidine
CID 94888
N,N'-Diphenylguanidine monohydrochloride
CID 32260
Diphenylguanidine hydrochloride
CID 520104
6,6-Dimethyl-1-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine hydrochloride
CID 102185
6,6-dimethyl-N2-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
CID 221163
N2-phenyl-1,3,5-triazaspiro(5.5)undeca-1,3-diene-2,4-diamine
CID 732268
4,6-Diamino-2,2-dimethyl-1,2-dihydro-1-phenyl-s-triazine
CID 19931
Guanidine, N-cyano-N'-phenyl-N''-(1,2,2-trimethylpropyl)-
CID 3050782
N-(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 2731293
N-(4-fluorophenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 2337750

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutyl)-1-(4-fluorophenyl)guanidine?
The IUPAC name of 2-(4-aminobutyl)-1-(4-fluorophenyl)guanidine (CID 45267902) is 2-(4-aminobutyl)-1-(4-fluorophenyl)guanidine.
What is the SMILES notation for 2-(4-aminobutyl)-1-(4-fluorophenyl)guanidine?
The canonical SMILES for 2-(4-aminobutyl)-1-(4-fluorophenyl)guanidine is NCCCC/N=C(\N)Nc1ccc(F)cc1.
What is the InChIKey of 2-(4-aminobutyl)-1-(4-fluorophenyl)guanidine?
The InChIKey is LEVHVNVUJZXDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4/c12-9-3-5-10(6-4-9)16-11(14)15-8-2-1-7-13/h3-6H,1-2,7-8,13H2,(H3,14,15,16).
What are the key properties of 2-(4-aminobutyl)-1-(4-fluorophenyl)guanidine?
2-(4-aminobutyl)-1-(4-fluorophenyl)guanidine has a molecular weight of 224.28 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutyl)-1-(4-fluorophenyl)guanidine is sourced from PubChem (CID 45267902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).