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

C10H14FN5 — CID 83037144

IUPAC1-(diaminomethylidene)-2-[2-(3-fluorophenyl)ethyl]guanidine
SMILESNC(N)=N/C(N)=N/CCc1cccc(F)c1
InChIInChI=1S/C10H14FN5/c11-8-3-1-2-7(6-8)4-5-15-10(14)16-9(12)13/h1-3,6H,4-5H2,(H6,12,13,14,15,16)
InChIKeyOSNBOXZVMYABKX-UHFFFAOYSA-N
MW223.26 g/mol
LogP-0.04
Rot. Bonds3

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

1-(diaminomethylidene)-2-[2-(3-fluorophenyl)ethyl]guanidine (PubChem CID 83037144) has the molecular formula C10H14FN5 and a molecular weight of 223.26 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[2-(3-fluorophenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[2-(3-fluorophenyl)ethyl]guanidine
PubChem CID83037144
Molecular FormulaC10H14FN5
Molecular Weight223.26 g/mol
Exact Mass223.12
IUPAC Name1-(diaminomethylidene)-2-[2-(3-fluorophenyl)ethyl]guanidine
SMILESNC(N)=N/C(N)=N/CCc1cccc(F)c1
InChIInChI=1S/C10H14FN5/c11-8-3-1-2-7(6-8)4-5-15-10(14)16-9(12)13/h1-3,6H,4-5H2,(H6,12,13,14,15,16)
InChIKeyOSNBOXZVMYABKX-UHFFFAOYSA-N
XLogP-0.04
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
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

Phenformin
CID 8249
3-Iodobenzylguanidine
CID 60860
Phenformin Hydrochloride
CID 13266
Iobenguane I-131
CID 71184
N-(Phenylmethyl)guanidine
CID 16644
Iobenguane I-123
CID 135326
2-(2-Fluorophenyl)ethylamine
CID 643357
p-Fluorophenethylamine
CID 4653
2-(3-Fluorophenyl)ethanamine
CID 533928
4-Fluorophenethylamine hydrochloride
CID 197725
3-(4-Fluorophenyl)propan-1-amine
CID 6483796
2-Benzyl-1-(diaminomethylidene)guanidine
CID 15006

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[2-(3-fluorophenyl)ethyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[2-(3-fluorophenyl)ethyl]guanidine (CID 83037144) is 1-(diaminomethylidene)-2-[2-(3-fluorophenyl)ethyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[2-(3-fluorophenyl)ethyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[2-(3-fluorophenyl)ethyl]guanidine is NC(N)=N/C(N)=N/CCc1cccc(F)c1.
What is the InChIKey of 1-(diaminomethylidene)-2-[2-(3-fluorophenyl)ethyl]guanidine?
The InChIKey is OSNBOXZVMYABKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN5/c11-8-3-1-2-7(6-8)4-5-15-10(14)16-9(12)13/h1-3,6H,4-5H2,(H6,12,13,14,15,16).
What are the key properties of 1-(diaminomethylidene)-2-[2-(3-fluorophenyl)ethyl]guanidine?
1-(diaminomethylidene)-2-[2-(3-fluorophenyl)ethyl]guanidine has a molecular weight of 223.26 g/mol, XLogP of -0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[2-(3-fluorophenyl)ethyl]guanidine is sourced from PubChem (CID 83037144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).