1-[3-(3,5-difluorophenyl)cyclobutyl]-2-(2-methoxyethyl)guanidine

C14H19F2N3O — CID 122082585

IUPAC1-[3-(3,5-difluorophenyl)cyclobutyl]-2-(2-methoxyethyl)guanidine
SMILESCOCC/N=C(\N)NC1CC(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C14H19F2N3O/c1-20-3-2-18-14(17)19-13-6-10(7-13)9-4-11(15)8-12(16)5-9/h4-5,8,10,13H,2-3,6-7H2,1H3,(H3,17,18,19)
InChIKeyMUAQEUPDHDVXKI-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.76
Rot. Bonds5

About 1-[3-(3,5-difluorophenyl)cyclobutyl]-2-(2-methoxyethyl)guanidine

1-[3-(3,5-difluorophenyl)cyclobutyl]-2-(2-methoxyethyl)guanidine (PubChem CID 122082585) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is 1-[3-(3,5-difluorophenyl)cyclobutyl]-2-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name1-[3-(3,5-difluorophenyl)cyclobutyl]-2-(2-methoxyethyl)guanidine
PubChem CID122082585
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name1-[3-(3,5-difluorophenyl)cyclobutyl]-2-(2-methoxyethyl)guanidine
SMILESCOCC/N=C(\N)NC1CC(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C14H19F2N3O/c1-20-3-2-18-14(17)19-13-6-10(7-13)9-4-11(15)8-12(16)5-9/h4-5,8,10,13H,2-3,6-7H2,1H3,(H3,17,18,19)
InChIKeyMUAQEUPDHDVXKI-UHFFFAOYSA-N
XLogP1.76
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
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'}

Analyze 1-[3-(3,5-difluorophenyl)cyclobutyl]-2-(2-methoxyethyl)guanidine 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

1-[3-(3,5-difluorophenyl)cyclobutyl]-2-(2-phenylethyl)guanidine
CID 120671743
1-[3-(3,5-difluorophenyl)cyclobutyl]-2-(2-phenylethyl)guanidine;hydroiodide
CID 120671742
1-cyclohexyl-2-[2-(3,5-difluorophenyl)ethyl]guanidine
CID 62615976
1-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]guanidine
CID 62367717
4-[[N'-(2-methoxyethyl)carbamimidoyl]amino]pyrrolidine-2-carboxylic acid
CID 66999896
2-(cyclobutylmethyl)-1-[3-(3-fluorophenyl)cyclobutyl]guanidine;hydroiodide
CID 120671664
1-[3-(4-fluorophenyl)cyclobutyl]-2-methylguanidine
CID 122082851
2-(cyclobutylmethyl)-1-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]guanidine
CID 120762813
2-[3-(3,5-difluorophenyl)cyclobutyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 120671766
1-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-2-(2-methoxyethyl)guanidine
CID 122082473
2-(2-methoxyethyl)-1-[2-(2-methylphenyl)cyclopropyl]guanidine
CID 111456517
1-hydroxy-2-(2-methoxyethyl)guanidine
CID 62482674

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-difluorophenyl)cyclobutyl]-2-(2-methoxyethyl)guanidine?
The IUPAC name of 1-[3-(3,5-difluorophenyl)cyclobutyl]-2-(2-methoxyethyl)guanidine (CID 122082585) is 1-[3-(3,5-difluorophenyl)cyclobutyl]-2-(2-methoxyethyl)guanidine.
What is the SMILES notation for 1-[3-(3,5-difluorophenyl)cyclobutyl]-2-(2-methoxyethyl)guanidine?
The canonical SMILES for 1-[3-(3,5-difluorophenyl)cyclobutyl]-2-(2-methoxyethyl)guanidine is COCC/N=C(\N)NC1CC(c2cc(F)cc(F)c2)C1.
What is the InChIKey of 1-[3-(3,5-difluorophenyl)cyclobutyl]-2-(2-methoxyethyl)guanidine?
The InChIKey is MUAQEUPDHDVXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-20-3-2-18-14(17)19-13-6-10(7-13)9-4-11(15)8-12(16)5-9/h4-5,8,10,13H,2-3,6-7H2,1H3,(H3,17,18,19).
What are the key properties of 1-[3-(3,5-difluorophenyl)cyclobutyl]-2-(2-methoxyethyl)guanidine?
1-[3-(3,5-difluorophenyl)cyclobutyl]-2-(2-methoxyethyl)guanidine has a molecular weight of 283.32 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-difluorophenyl)cyclobutyl]-2-(2-methoxyethyl)guanidine is sourced from PubChem (CID 122082585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).