1-(3-cyclopropylpropyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine

C15H22FN3 — CID 111794203

IUPAC1-(3-cyclopropylpropyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine
SMILESC/N=C(\NCCCC1CC1)NCc1ccc(F)cc1
InChIInChI=1S/C15H22FN3/c1-17-15(18-10-2-3-12-4-5-12)19-11-13-6-8-14(16)9-7-13/h6-9,12H,2-5,10-11H2,1H3,(H2,17,18,19)
InChIKeyRQSVMDFPOCPAEC-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.68
Rot. Bonds6

About 1-(3-cyclopropylpropyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine

1-(3-cyclopropylpropyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine (PubChem CID 111794203) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-(3-cyclopropylpropyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-(3-cyclopropylpropyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine
PubChem CID111794203
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name1-(3-cyclopropylpropyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine
SMILESC/N=C(\NCCCC1CC1)NCc1ccc(F)cc1
InChIInChI=1S/C15H22FN3/c1-17-15(18-10-2-3-12-4-5-12)19-11-13-6-8-14(16)9-7-13/h6-9,12H,2-5,10-11H2,1H3,(H2,17,18,19)
InChIKeyRQSVMDFPOCPAEC-UHFFFAOYSA-N
XLogP2.68
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-(2-cyclopropylethyl)-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine
CID 111604568
1-[2-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111228815
1-[(3-chlorophenyl)methyl]-3-(3-cyclopropylpropyl)-2-methylguanidine
CID 111792982
1-[(4-cyanophenyl)methyl]-3-(3-cyclopentylpropyl)-2-methylguanidine;hydroiodide
CID 111946674
1-[(3-chlorophenyl)methyl]-3-(3-cyclopropylpropyl)-2-methylguanidine;hydroiodide
CID 111792981
4-[[[N-(3-cyclohexylpropyl)-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111947687
1-(4-ethoxybutyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111231766
1-(5-cyclohexyloxypentyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111763672
4-[[[N-(3-cyclohexylpropyl)-N'-methylcarbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111947686
1-(2-cyclopropylethyl)-3-[(4-methoxyphenyl)methyl]-2-methylguanidine
CID 111604779
1-[(4-fluorophenyl)methyl]-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide
CID 111667249
1-[4-(4-fluorophenoxy)butyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111233202

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylpropyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine?
The IUPAC name of 1-(3-cyclopropylpropyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine (CID 111794203) is 1-(3-cyclopropylpropyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-(3-cyclopropylpropyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine?
The canonical SMILES for 1-(3-cyclopropylpropyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine is C/N=C(\NCCCC1CC1)NCc1ccc(F)cc1.
What is the InChIKey of 1-(3-cyclopropylpropyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine?
The InChIKey is RQSVMDFPOCPAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3/c1-17-15(18-10-2-3-12-4-5-12)19-11-13-6-8-14(16)9-7-13/h6-9,12H,2-5,10-11H2,1H3,(H2,17,18,19).
What are the key properties of 1-(3-cyclopropylpropyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine?
1-(3-cyclopropylpropyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine has a molecular weight of 263.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylpropyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine is sourced from PubChem (CID 111794203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).