N'-[(5-cyclopropyl-2-fluorophenyl)methyl]azetidine-1-carboximidamide

C14H18FN3 — CID 122097017

IUPACN'-[(5-cyclopropyl-2-fluorophenyl)methyl]azetidine-1-carboximidamide
SMILESN/C(=N\Cc1cc(C2CC2)ccc1F)N1CCC1
InChIInChI=1S/C14H18FN3/c15-13-5-4-11(10-2-3-10)8-12(13)9-17-14(16)18-6-1-7-18/h4-5,8,10H,1-3,6-7,9H2,(H2,16,17)
InChIKeyLMHMEYJDTFFFHU-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.22
Rot. Bonds3

About N'-[(5-cyclopropyl-2-fluorophenyl)methyl]azetidine-1-carboximidamide

N'-[(5-cyclopropyl-2-fluorophenyl)methyl]azetidine-1-carboximidamide (PubChem CID 122097017) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is N'-[(5-cyclopropyl-2-fluorophenyl)methyl]azetidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(5-cyclopropyl-2-fluorophenyl)methyl]azetidine-1-carboximidamide
PubChem CID122097017
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC NameN'-[(5-cyclopropyl-2-fluorophenyl)methyl]azetidine-1-carboximidamide
SMILESN/C(=N\Cc1cc(C2CC2)ccc1F)N1CCC1
InChIInChI=1S/C14H18FN3/c15-13-5-4-11(10-2-3-10)8-12(13)9-17-14(16)18-6-1-7-18/h4-5,8,10H,1-3,6-7,9H2,(H2,16,17)
InChIKeyLMHMEYJDTFFFHU-UHFFFAOYSA-N
XLogP2.22
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N'-[(5-cyclopropyl-2-fluorophenyl)methyl]azetidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(5-bromo-2-fluorophenyl)methyl]pyrrolidine-1-carboximidamide
CID 75493910
N'-[(5-bromo-2-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide
CID 110919760
N'-[(2,5-difluorophenyl)methyl]morpholine-4-carboximidamide
CID 111800968
N'-[(2,5-difluorophenyl)methyl]thiomorpholine-4-carboximidamide
CID 111801004
N'-[(4-chloro-2-iodophenyl)methyl]azetidine-1-carboximidamide
CID 122095649
(5-cyclopropyl-2-fluorophenyl)methanamine
CID 62490322
N'-[(2,5-dibromophenyl)methyl]azetidine-1-carboximidamide
CID 122095446
N'-[(3-chloro-4-fluorophenyl)methyl]piperidine-1-carboximidamide
CID 111045730
N'-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]azetidine-1-carboximidamide
CID 122095368
2-[2-(4-cyclopropyl-2-fluorophenyl)ethyl]guanidine
CID 118466314
N'-[(3-chloro-4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111045706
N'-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]azetidine-1-carboximidamide
CID 122096032

Frequently Asked Questions

What is the IUPAC name of N'-[(5-cyclopropyl-2-fluorophenyl)methyl]azetidine-1-carboximidamide?
The IUPAC name of N'-[(5-cyclopropyl-2-fluorophenyl)methyl]azetidine-1-carboximidamide (CID 122097017) is N'-[(5-cyclopropyl-2-fluorophenyl)methyl]azetidine-1-carboximidamide.
What is the SMILES notation for N'-[(5-cyclopropyl-2-fluorophenyl)methyl]azetidine-1-carboximidamide?
The canonical SMILES for N'-[(5-cyclopropyl-2-fluorophenyl)methyl]azetidine-1-carboximidamide is N/C(=N\Cc1cc(C2CC2)ccc1F)N1CCC1.
What is the InChIKey of N'-[(5-cyclopropyl-2-fluorophenyl)methyl]azetidine-1-carboximidamide?
The InChIKey is LMHMEYJDTFFFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c15-13-5-4-11(10-2-3-10)8-12(13)9-17-14(16)18-6-1-7-18/h4-5,8,10H,1-3,6-7,9H2,(H2,16,17).
What are the key properties of N'-[(5-cyclopropyl-2-fluorophenyl)methyl]azetidine-1-carboximidamide?
N'-[(5-cyclopropyl-2-fluorophenyl)methyl]azetidine-1-carboximidamide has a molecular weight of 247.32 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-cyclopropyl-2-fluorophenyl)methyl]azetidine-1-carboximidamide is sourced from PubChem (CID 122097017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).