1-cyclopropyl-2-[2-(2-fluorophenoxy)butyl]-1-methylguanidine;hydroiodide

C15H23FIN3O — CID 110031022

IUPAC1-cyclopropyl-2-[2-(2-fluorophenoxy)butyl]-1-methylguanidine;hydroiodide
SMILESCCC(C/N=C(\N)N(C)C1CC1)Oc1ccccc1F.I
InChIInChI=1S/C15H22FN3O.HI/c1-3-12(20-14-7-5-4-6-13(14)16)10-18-15(17)19(2)11-8-9-11;/h4-7,11-12H,3,8-10H2,1-2H3,(H2,17,18);1H
InChIKeyFXDPJWBYMICPPP-UHFFFAOYSA-N
MW407.27 g/mol
LogP3.01
Rot. Bonds6

About 1-cyclopropyl-2-[2-(2-fluorophenoxy)butyl]-1-methylguanidine;hydroiodide

1-cyclopropyl-2-[2-(2-fluorophenoxy)butyl]-1-methylguanidine;hydroiodide (PubChem CID 110031022) has the molecular formula C15H23FIN3O and a molecular weight of 407.27 g/mol. Its IUPAC name is 1-cyclopropyl-2-[2-(2-fluorophenoxy)butyl]-1-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[2-(2-fluorophenoxy)butyl]-1-methylguanidine;hydroiodide
PubChem CID110031022
Molecular FormulaC15H23FIN3O
Molecular Weight407.27 g/mol
Exact Mass407.09
IUPAC Name1-cyclopropyl-2-[2-(2-fluorophenoxy)butyl]-1-methylguanidine;hydroiodide
SMILESCCC(C/N=C(\N)N(C)C1CC1)Oc1ccccc1F.I
InChIInChI=1S/C15H22FN3O.HI/c1-3-12(20-14-7-5-4-6-13(14)16)10-18-15(17)19(2)11-8-9-11;/h4-7,11-12H,3,8-10H2,1-2H3,(H2,17,18);1H
InChIKeyFXDPJWBYMICPPP-UHFFFAOYSA-N
XLogP3.01
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-2-[2-(2-fluorophenoxy)butyl]-1-methylguanidine;hydroiodide 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

2-[2-(2-chlorophenoxy)butyl]-1-cyclopropyl-1-methylguanidine
CID 110031027
2-[2-(2-fluorophenoxy)butyl]-1-propan-2-ylguanidine
CID 111752698
1-cyclopropyl-2-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1-methylguanidine
CID 110031035
N'-[2-(2-fluorophenoxy)butyl]morpholine-4-carboximidamide
CID 111752728
N'-[2-(2-fluorophenoxy)butyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111752691
2-[2-(2-fluorophenoxy)butyl]-1-(2-methylprop-2-enyl)guanidine
CID 136921204
2-[2-(2-fluorophenoxy)butyl]-1-(2-methoxyphenyl)guanidine
CID 111752680
1-cyclopropyl-2-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-1-methylguanidine;hydroiodide
CID 110030978
1-cyclopropyl-2-(2-hydroxy-3-phenylpropyl)-1-methylguanidine;hydroiodide
CID 110030946
1-cyclopropyl-2-[2-(dimethylamino)-3-ethylpentyl]-1-methylguanidine;hydroiodide
CID 110029751
3-(2-fluorophenoxy)pentan-1-amine
CID 43368122
2-[(2S)-2-(3-fluorophenoxy)butyl]-1,1-dimethylguanidine
CID 97014177

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[2-(2-fluorophenoxy)butyl]-1-methylguanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[2-(2-fluorophenoxy)butyl]-1-methylguanidine;hydroiodide (CID 110031022) is 1-cyclopropyl-2-[2-(2-fluorophenoxy)butyl]-1-methylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[2-(2-fluorophenoxy)butyl]-1-methylguanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[2-(2-fluorophenoxy)butyl]-1-methylguanidine;hydroiodide is CCC(C/N=C(\N)N(C)C1CC1)Oc1ccccc1F.I.
What is the InChIKey of 1-cyclopropyl-2-[2-(2-fluorophenoxy)butyl]-1-methylguanidine;hydroiodide?
The InChIKey is FXDPJWBYMICPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O.HI/c1-3-12(20-14-7-5-4-6-13(14)16)10-18-15(17)19(2)11-8-9-11;/h4-7,11-12H,3,8-10H2,1-2H3,(H2,17,18);1H.
What are the key properties of 1-cyclopropyl-2-[2-(2-fluorophenoxy)butyl]-1-methylguanidine;hydroiodide?
1-cyclopropyl-2-[2-(2-fluorophenoxy)butyl]-1-methylguanidine;hydroiodide has a molecular weight of 407.27 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[2-(2-fluorophenoxy)butyl]-1-methylguanidine;hydroiodide is sourced from PubChem (CID 110031022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).