1-[4-(4-fluorophenoxy)butyl]-3-(3-methoxypropyl)-2-methylguanidine

C16H26FN3O2 — CID 110975159

IUPAC1-[4-(4-fluorophenoxy)butyl]-3-(3-methoxypropyl)-2-methylguanidine
SMILESC/N=C(/NCCCCOc1ccc(F)cc1)NCCCOC
InChIInChI=1S/C16H26FN3O2/c1-18-16(20-11-5-12-21-2)19-10-3-4-13-22-15-8-6-14(17)7-9-15/h6-9H,3-5,10-13H2,1-2H3,(H2,18,19,20)
InChIKeyMAOIMPOLVHUQFE-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.19
Rot. Bonds10

About 1-[4-(4-fluorophenoxy)butyl]-3-(3-methoxypropyl)-2-methylguanidine

1-[4-(4-fluorophenoxy)butyl]-3-(3-methoxypropyl)-2-methylguanidine (PubChem CID 110975159) has the molecular formula C16H26FN3O2 and a molecular weight of 311.40 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)butyl]-3-(3-methoxypropyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)butyl]-3-(3-methoxypropyl)-2-methylguanidine
PubChem CID110975159
Molecular FormulaC16H26FN3O2
Molecular Weight311.40 g/mol
Exact Mass311.20
IUPAC Name1-[4-(4-fluorophenoxy)butyl]-3-(3-methoxypropyl)-2-methylguanidine
SMILESC/N=C(/NCCCCOc1ccc(F)cc1)NCCCOC
InChIInChI=1S/C16H26FN3O2/c1-18-16(20-11-5-12-21-2)19-10-3-4-13-22-15-8-6-14(17)7-9-15/h6-9H,3-5,10-13H2,1-2H3,(H2,18,19,20)
InChIKeyMAOIMPOLVHUQFE-UHFFFAOYSA-N
XLogP2.19
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-[4-(4-fluorophenoxy)butyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111233202
1-(3-methoxypropyl)-2-methyl-3-[2-(4-methylphenoxy)ethyl]guanidine;hydroiodide
CID 110974758
1-(2-ethoxyethyl)-3-[3-(4-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111896666
1-(cyclopropylmethyl)-3-[3-(4-fluorophenoxy)propyl]-2-methylguanidine
CID 111870100
1-[3-(4-fluorophenoxy)propyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109474374
1-[2-(4-fluorophenoxy)propyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 111494395
1-(2-methoxyethyl)-2-methyl-3-[3-(4-methylphenoxy)propyl]guanidine
CID 110940234
1-[3-(4-fluorophenyl)sulfanylpropyl]-3-(5-methoxypentyl)-2-methylguanidine
CID 111310912
1-[2-(4-fluorophenyl)sulfanylethyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 111567483
1-[(2,4-dimethoxyphenyl)methyl]-3-[4-(4-fluorophenoxy)butyl]-2-methylguanidine
CID 111419743
tert-butyl N-[3-[[N-[3-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate
CID 111887325
1-[4-(4-fluorophenoxy)butyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111398428

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)butyl]-3-(3-methoxypropyl)-2-methylguanidine?
The IUPAC name of 1-[4-(4-fluorophenoxy)butyl]-3-(3-methoxypropyl)-2-methylguanidine (CID 110975159) is 1-[4-(4-fluorophenoxy)butyl]-3-(3-methoxypropyl)-2-methylguanidine.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)butyl]-3-(3-methoxypropyl)-2-methylguanidine?
The canonical SMILES for 1-[4-(4-fluorophenoxy)butyl]-3-(3-methoxypropyl)-2-methylguanidine is C/N=C(/NCCCCOc1ccc(F)cc1)NCCCOC.
What is the InChIKey of 1-[4-(4-fluorophenoxy)butyl]-3-(3-methoxypropyl)-2-methylguanidine?
The InChIKey is MAOIMPOLVHUQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O2/c1-18-16(20-11-5-12-21-2)19-10-3-4-13-22-15-8-6-14(17)7-9-15/h6-9H,3-5,10-13H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[4-(4-fluorophenoxy)butyl]-3-(3-methoxypropyl)-2-methylguanidine?
1-[4-(4-fluorophenoxy)butyl]-3-(3-methoxypropyl)-2-methylguanidine has a molecular weight of 311.40 g/mol, XLogP of 2.19, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenoxy)butyl]-3-(3-methoxypropyl)-2-methylguanidine is sourced from PubChem (CID 110975159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).