1-cyclohexyl-3-[(2,5-difluorophenyl)methyl]-2-methylguanidine

C15H21F2N3 — CID 111546661

IUPAC1-cyclohexyl-3-[(2,5-difluorophenyl)methyl]-2-methylguanidine
SMILESC/N=C(\NCc1cc(F)ccc1F)NC1CCCCC1
InChIInChI=1S/C15H21F2N3/c1-18-15(20-13-5-3-2-4-6-13)19-10-11-9-12(16)7-8-14(11)17/h7-9,13H,2-6,10H2,1H3,(H2,18,19,20)
InChIKeyRQGOOHUVFZLISJ-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.96
Rot. Bonds3

About 1-cyclohexyl-3-[(2,5-difluorophenyl)methyl]-2-methylguanidine

1-cyclohexyl-3-[(2,5-difluorophenyl)methyl]-2-methylguanidine (PubChem CID 111546661) has the molecular formula C15H21F2N3 and a molecular weight of 281.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2,5-difluorophenyl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2,5-difluorophenyl)methyl]-2-methylguanidine
PubChem CID111546661
Molecular FormulaC15H21F2N3
Molecular Weight281.35 g/mol
Exact Mass281.17
IUPAC Name1-cyclohexyl-3-[(2,5-difluorophenyl)methyl]-2-methylguanidine
SMILESC/N=C(\NCc1cc(F)ccc1F)NC1CCCCC1
InChIInChI=1S/C15H21F2N3/c1-18-15(20-13-5-3-2-4-6-13)19-10-11-9-12(16)7-8-14(11)17/h7-9,13H,2-6,10H2,1H3,(H2,18,19,20)
InChIKeyRQGOOHUVFZLISJ-UHFFFAOYSA-N
XLogP2.96
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-3-[(2,5-difluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111779634
1-[(2,5-difluorophenyl)methyl]-3-(3-ethylsulfinylcyclohexyl)-2-methylguanidine
CID 109439503
1-cyclopropyl-3-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-2-methylguanidine
CID 111824714
1-cyclopentyl-3-[(3-fluorophenyl)methyl]-2-methylguanidine
CID 110992731
1-[(3-chloro-4-fluorophenyl)methyl]-3-cyclohexyl-2-methylguanidine
CID 110959339
1-[2-[cyclohexyl(methyl)amino]ethyl]-3-[(2,5-difluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111903228
1-cyclopentyl-2-[2-(2,5-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide
CID 111965424
1-(3-cyclohexyloxypropyl)-3-[(2,5-difluorophenyl)methyl]-2-methylguanidine
CID 111787025
1-cyclopentyl-3-[(3-fluoro-4-hydroxyphenyl)methyl]-2-methylguanidine
CID 111790933
1-cyclohexyl-3-[(2,4-dimethylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 110957079
1-[(2,5-difluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111782897
1-cyclopentyl-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111771191

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2,5-difluorophenyl)methyl]-2-methylguanidine?
The IUPAC name of 1-cyclohexyl-3-[(2,5-difluorophenyl)methyl]-2-methylguanidine (CID 111546661) is 1-cyclohexyl-3-[(2,5-difluorophenyl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-cyclohexyl-3-[(2,5-difluorophenyl)methyl]-2-methylguanidine?
The canonical SMILES for 1-cyclohexyl-3-[(2,5-difluorophenyl)methyl]-2-methylguanidine is C/N=C(\NCc1cc(F)ccc1F)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(2,5-difluorophenyl)methyl]-2-methylguanidine?
The InChIKey is RQGOOHUVFZLISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3/c1-18-15(20-13-5-3-2-4-6-13)19-10-11-9-12(16)7-8-14(11)17/h7-9,13H,2-6,10H2,1H3,(H2,18,19,20).
What are the key properties of 1-cyclohexyl-3-[(2,5-difluorophenyl)methyl]-2-methylguanidine?
1-cyclohexyl-3-[(2,5-difluorophenyl)methyl]-2-methylguanidine has a molecular weight of 281.35 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2,5-difluorophenyl)methyl]-2-methylguanidine is sourced from PubChem (CID 111546661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).